Cyclohexane

Cyclohexane

SCHEMBL4093030

C1CCCCC1.CCC(=O)O.CCC(=O)O

nearest known ligand 0.83

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.83
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
TDP1 Q9NUW8 4/20 0.47
ALDH1A1 P00352 3/20 0.47
AKR1B1 P15121 1/20 0.40
LDHA P00338 1/20 0.40
SRR Q9GZT4 1/20 0.40
LMNA P02545 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
SUCNR1 Q9BXA5 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
CYP2C19 P33261 1/20 0.39
PPARG P37231 6/20 0.38
PPARD Q03181 6/20 0.38
PPARA Q07869 6/20 0.38
HDAC11 Q96DB2 5/20 0.38
TSHR P16473 4/20 0.38

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
Cyclohexane SCHEMBL2585876 1.00 FFAR3 (0.83) FFAR3HDAC3HDAC1HDAC2HDAC8
Propionic Acid SCHEMBL27344153 1.00
Propionic Acid SCHEMBL28008056 1.00
Propionic Acid SCHEMBL29094849 1.00 FFAR3 (0.83) FFAR3HDAC3HDAC1HDAC2HDAC8
Cyclopentane SCHEMBL97373 1.00 FFAR3 (0.83) FFAR3HDAC3HDAC1HDAC2HDAC8
Propionic Acid SCHEMBL5062880 1.00 FFAR3 (0.83) FFAR3HDAC3HDAC1HDAC2HDAC8
Cyclooctane SCHEMBL27748002 1.00 FFAR3 (0.83) FFAR3HDAC3HDAC1HDAC2HDAC8
Cyclopentane SCHEMBL28987168 1.00 FFAR3 (0.83) FFAR3HDAC3HDAC1HDAC2HDAC8
Propionic Acid SCHEMBL29144978 0.96 FFAR3 (0.77) FFAR3HDAC3HDAC1HDAC2HDAC8
Cyclohexane SCHEMBL11710549 0.96 FFAR3 (0.77) FFAR3HDAC3HDAC1HDAC2HDAC8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2048166-B1 SOLID TITANIUM CATALYST INGREDIENT, CATALYST FOR OLEFIN POLYMERIZATION, AND METHOD OF OLEFIN POLYMERIZATION MITSUI CHEMICALS INC (JP) 2014-02-26 EP disclosed
US-20090203855-A1 Solid titanium catalyst ingredient, catalyst for olefin polymerization, and method of olefin polymerization MITSUI CHEMICALS, INC. 2009-08-13 US disclosed
EP-2048166-A1 SOLID TITANIUM CATALYST INGREDIENT, CATALYST FOR OLEFIN POLYMERIZATION, AND METHOD OF OLEFIN POLYMERIZATION Mitsui Chemicals, Inc. (JP) 2009-04-15 EP disclosed