Cyclohexane

Cyclohexane

SCHEMBL7052291

C1CCCCC1.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Cyclohexane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA9 Q16790 1/20 0.62
FFAR3 O14843 2/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ACHE P22303 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP2C19 P33261 1/20 0.33
EPHX1 P07099 5/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
EPHX2 P34913 1/20 0.32
LDHA P00338 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Cyclopentane SCHEMBL17784233 1.00 CA1 (0.62) CA1CA2CA9FFAR3CES2
Bicarbonate SCHEMBL934383 1.00 CA1 (0.62) CA1CA2CA9FFAR3CES2
Cyclopentane SCHEMBL8102000 1.00 CA1 (0.62) CA1CA2CA9FFAR3CES2
Cyclohexane SCHEMBL9754177 1.00 CA1 (0.62) CA1CA2CA9FFAR3CES2
Cyclohexane SCHEMBL168638 1.00 CA1 (0.62) CA1CA2CA9FFAR3CES2
Bicarbonate SCHEMBL7521496 1.00 CA1 (0.62) CA1CA2CA9FFAR3CES2
Cyclohexane SCHEMBL8160484 1.00 CA1 (0.62) CA1CA2CA9FFAR3CES2
Cyclohexane SCHEMBL3406024 1.00 CA1 (0.62) CA1CA2CA9FFAR3CES2
Cyclohexane SCHEMBL25742 1.00 CA1 (0.62) CA1CA2CA9FFAR3CES2
Bicarbonate SCHEMBL527333 1.00 CA1 (0.62) CA1CA2CA9FFAR3CES2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003052170-A1 METHOD FOR SEALING ANODISED METAL SURFACES IN THE MEDIUM TEMPERATURE RANGE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-06-26 WO claimed
EP-1027377-B1 POLYMERIZABLE COMPOSITION AND THE APPLICATION THEREOF AS A COUPLING AGENT 3M ESPE AG (DE) 2003-04-23 EP claimed
EP-1027377-A1 POLYMERIZABLE COMPOSITION AND THE APPLICATION THEREOF AS A COUPLING AGENT ESPE Dental AG (DE) 2000-08-16 EP claimed
EP-0902849-B1 SHORT-TERM HEAT-SEALING OF ANODIZED METAL SURFACES WITH SURFACTANT-CONTAINING SOLUTIONS HENKEL KGAA (DE) 2000-08-09 EP claimed
EP-0857227-B1 SHORT DURATION HOT SEAL FOR ANODISED METAL SURFACES HENKEL KGAA (DE) 2000-01-26 EP claimed
WO-1999024477-A1 POLYMERIZABLE COMPOSITION AND THE APPLICATION THEREOF AS A COUPLING AGENT ESPE DENTAL AG (DE) 1999-05-20 WO claimed
EP-0902849-A1 SHORT-TERM HEAT-SEALING OF ANODIZED METAL SURFACES WITH SURFACTANT-CONTAINING SOLUTIONS Henkel Kommanditgesellschaft auf Aktien (DE) 1999-03-24 EP claimed
EP-0857227-A1 SHORT DURATION HOT SEAL FOR ANODISED METAL SURFACES Henkel Kommanditgesellschaft auf Aktien (DE) 1998-08-12 EP claimed
WO-1997046738-A1 SHORT-TERM HEAT-SEALING OF ANODIZED METAL SURFACES WITH SURFACTANT-CONTAINING SOLUTIONS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1997-12-11 WO claimed
WO-1997014828-A1 SHORT DURATION HOT SEAL FOR ANODISED METAL SURFACES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1997-04-24 WO claimed
EP-0572923-A1 Process for the \"wash-and-wear\" finishing of cellulose textile, without formaldehyde HOECHST AKTIENGESELLSCHAFT (DE) 1993-12-08 EP claimed
EP-3105366-B1 USE OF PHOSPHO-TARTARIC ACID AND THE SALTS THEREOF FOR THE TREATMENT OF WATER IN WATER-CONDUCTING SYSTEMS KURITA WATER IND LTD (JP) 2018-04-04 EP disclosed
EP-3105366-A1 USE OF PHOSPHO-TARTARIC ACID AND THE SALTS THEROF FOR THE TREATMENT OF WATER IN WATER-CONDUCTING SYSTEMS Kurita Water Industries Ltd. (JP) 2016-12-21 EP disclosed
WO-2003052171-A2 SEALING OF ANODIZED METALLIC SURFACES IN ORDER TO IMPROVE THE WEATHERING BEHAVIOUR THEREOF HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-06-26 WO disclosed
WO-2003052170-A1 METHOD FOR SEALING ANODISED METAL SURFACES IN THE MEDIUM TEMPERATURE RANGE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-06-26 WO disclosed
EP-0103234-B1 PROCESS FOR DENSIFYING ANODICALLY PRODUCED OXIDE LAYERS ON ALUMINIUM OR ALUMINIUM ALLOYS Henkel Kommanditgesellschaft auf Aktien (DE) 1987-07-08 EP disclosed
EP-0203523-A2 Alkaline hydroxide-containing compounds in melted block form for machine dish-washing, and process for their preparation Henkel Kommanditgesellschaft auf Aktien (DE) 1986-12-03 EP disclosed
EP-0168547-A2 Copolymers for washing and cleaning compositions BASF Aktiengesellschaft (DE) 1986-01-22 EP disclosed
EP-0133562-A2 Additive for detergents for textiles Henkel Kommanditgesellschaft auf Aktien (DE) 1985-02-27 EP disclosed
EP-0103234-A2 Process for densifying anodically produced oxide layers on aluminium or aluminium alloys Henkel Kommanditgesellschaft auf Aktien (DE) 1984-03-21 EP disclosed