SCHEMBL8527562

SCHEMBL8527562

CCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccccc3)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.54
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
MEN1 O00255 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
DRD2 P14416 2/20 0.49
KDM4E B2RXH2 2/20 0.43
ESR2 Q92731 1/20 0.42
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
SLC18A3 Q16572 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
IDO1 P14902 1/20 0.41

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
SCHEMBL10910889 1.00 CYP2C9 (0.54) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8527560 1.00 CYP2C9 (0.54) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8527556 1.00 CYP2C9 (0.54) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL548536 0.94 CYP2C9 (0.58) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL548537 0.94 CYP2C9 (0.58) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL1790467 0.94 CYP2C9 (0.58) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8448585 0.93 CYP2C9 (0.57) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8448583 0.93 CYP2C9 (0.57) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8448582 0.93 CYP2C9 (0.57) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9159110 0.91 CYP2C9 (0.63) CYP2C9ALDH1A1LMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58032832-A None JP 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-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-0302916-B1 ELECTRO-OPTICAL DISPLAY ELEMENT MERCK PATENT GmbH (DE) 1992-04-22 EP disclosed
EP-0302916-A1 ELECTRO-OPTICAL DISPLAY ELEMENT. MERCK PATENT GMBH (DE) 1989-02-15 EP disclosed
WO-1988006178-A1 ELECTRO-OPTICAL DISPLAY ELEMENT MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-08-25 WO disclosed
US-4701547-A POSITIVE DIELECTRIC ANISOTROPHY CHISSO CORPORATION (JP) 1987-10-20 US disclosed
EP-0094487-B1 HYDROTERPHENYLS, THEIR PREPARATION AND THEIR USE IN DIELECTRIC LIQUID CRYSTAL MATERIAL MERCK PATENT GmbH (DE) 1987-09-09 EP disclosed
US-4684478-A Novel liquid crystal compound for high temperatures CHISSO CORPORATION (JP) 1987-08-04 US disclosed
US-4620938-A Hydroterphenyls MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-11-04 US disclosed
EP-0090671-B1 CARBOCYLIC ESTERS HAVING LIQUID-CRYSTAL PROPERTIES AT HIGH TEMPERATURES Chisso Corporation (JP) 1985-06-19 EP disclosed
US-4502974-A SUBSTITUTED WITH HALOGEN OR NITRILE CHISSO CORPORATION (JP) 1985-03-05 US disclosed
EP-0094487-A1 Hydroterphenyls, their preparation and their use in dielectric liquid crystal material MERCK PATENT GmbH (DE) 1983-11-23 EP disclosed
EP-0090671-A1 Carbocylic esters having liquid-crystal properties at high temperatures Chisso Corporation (JP) 1983-10-05 EP disclosed
JP-S5832832-A TRANS-4'-(TRANS-4\"-ALKYLCYCLOHEXYL)CYCLOHEXYLBENZENE CHISSO CORP 1983-02-25 JP disclosed