SCHEMBL6458707

SCHEMBL6458707

CCCC[C@H]1CC[C@H]([C@H]2CC[C@H](CCC)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.58
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
TLR4 O00206 2/20 0.38
PKM P14618 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2C9 P11712 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
NAAA Q02083 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.33
EPHX1 P07099 1/20 0.32

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
SCHEMBL8045360 1.00 CYP1A2 (0.58) CYP1A2HTTLMNAMAPK1MAPT
SCHEMBL7507829 1.00 CYP1A2 (0.58) CYP1A2HTTLMNAMAPK1MAPT
SCHEMBL8219100 1.00 CYP1A2 (0.58) CYP1A2HTTLMNAMAPK1MAPT
SCHEMBL8220803 0.98 CYP1A2 (0.56) CYP1A2HTTLMNAMAPK1MAPT
SCHEMBL8218454 0.98 CYP1A2 (0.56) CYP1A2HTTLMNAMAPK1MAPT
SCHEMBL10486366 0.95 CYP1A2 (0.64) CYP1A2HTTLMNAMAPK1MAPT
SCHEMBL10486374 0.95 CYP1A2 (0.64) CYP1A2HTTLMNAMAPK1MAPT
SCHEMBL10706384 0.95 CYP1A2 (0.64) CYP1A2HTTLMNAMAPK1MAPT
SCHEMBL9416793 0.93 CYP1A2 (0.50) CYP1A2HTTLMNAMAPK1MAPT
SCHEMBL4653185 0.93 CYP1A2 (0.50) CYP1A2HTTLMNAMAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6913797-B1 Decahydronaphthalene derivative DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-07-05 US disclosed
EP-1108700-A1 DECAHYDRONAPHTHALENE DERIVATIVE DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-06-20 EP disclosed
US-6068835-A APPLYING HAIR COSMETIC TO HAND-TOWEL DRIED HAIR CONTAINING DENDRIMER POLYMER POLY(IMINOPROPANE-1,3-DIYL)-DENDRIMER WITH NITRILE AND/OR AMINO END GROUPS, ALLOWING HAIR COSMETIC TO REMAIN ON HAIR FOR 3-15 MINUTE, RINSING AND DRYING THE HAIR WELLA AKTIENGESELLSCHAFT (DE) 2000-05-30 US disclosed
EP-0700982-B1 A liquid crystal composition and a liquid crystal display element using the same CHISSO CORP (JP) 2000-04-26 EP disclosed
EP-0679707-B1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 1999-06-16 EP disclosed
EP-0733610-B1 Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device CHISSO CORP (JP) 1998-10-28 EP disclosed
EP-0688754-B1 DICYCLOHEXYLETHYLENE DERIVATIVE CHISSO CORP (JP) 1998-10-07 EP disclosed
US-5720899-A Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1998-02-24 US disclosed
US-5653911-A Liquid crystalline compound liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1997-08-05 US disclosed
EP-0597701-B1 Conjugated enyne derivative and liquid crystal composition CHISSO CORP (JP) 1997-04-16 EP disclosed
CN-1140160-A Liquid crystalline compound having conjugated carbon chain and liquid crystal composition containing the same CHISSO CORP (JP) 1997-01-15 CN disclosed
EP-0733610-A1 Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device Chisso Corporation (JP) 1996-09-25 EP disclosed
EP-0700982-A1 A liquid crystal composition and a liquid crystal display element using the same Chisso Corporation (JP) 1996-03-13 EP disclosed
EP-0688754-A1 DICYCLOHEXYLETHYLENE DERIVATIVE CHISSO CORPORATION (JP) 1995-12-27 EP disclosed
EP-0679707-A1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1995-11-02 EP disclosed
EP-0597701-A1 Conjugated enyne derivative and liquid crystal composition CHISSO CORPORATION (JP) 1994-05-18 EP disclosed
US-4868341-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-09-19 US disclosed
US-4622164-A LIQUID CRYSTAL DIELECTRICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-11-11 US disclosed