SCHEMBL11279803

SCHEMBL11279803

CCCC1CCC(c2ccc(-c3ccc(OC(=O)C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.53
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
ESR2 Q92731 3/20 0.40
DGAT1 O75907 8/20 0.40
SOAT1 P35610 4/20 0.40
ELANE P08246 1/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
ESR1 P03372 1/20 0.36
CYP3A4 P08684 1/20 0.36
FAAH O00519 1/20 0.35
CHRM2 P08172 1/20 0.35

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
SCHEMBL11281723 0.93 CYP2C9 (0.45) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11277138 0.92 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11271336 0.91 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11282528 0.91 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11278553 0.91 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11284307 0.91 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11278679 0.91 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11289093 0.91 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11280789 0.91 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11278531 0.91 CYP2C9 (0.43) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0022183-B1 DERIVATIVES OF CYCLOHEXYLBIPHENYL, PROCESS FOR THEIR PREPARATION, DIELECTRICS CONTAINING THEM, AND ELECTRON OPTICAL INDICATING ELEMENTS MERCK PATENT GmbH (DE) 1982-06-23 EP disclosed
US-4330426-A Cyclohexylbiphenyls, their preparation and use in dielectrics and electrooptical display elements MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-05-18 US disclosed
EP-0022183-A2 Derivatives of cyclohexylbiphenyl, process for their preparation, dielectrics containing them, and electron optical indicating elements MERCK PATENT GmbH (DE) 1981-01-14 EP disclosed