SCHEMBL11280913

SCHEMBL11280913

CCCC1CCC(c2ccc(-c3ccc(CC(C)CC)cc3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.48
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
ESR2 Q92731 3/20 0.38
SPHK1 Q9NYA1 9/20 0.37
SIGMAR1 Q99720 1/20 0.33
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 0.33
ESR1 P03372 1/20 0.33
CYP3A4 P08684 1/20 0.33
SPHK2 Q9NRA0 5/20 0.33

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
SCHEMBL11280022 0.92 SPHK1 (0.41) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL18560153 0.92 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11286899 0.91 SPHK1 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11279340 0.90 CYP2C9 (0.47) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11282469 0.90 SPHK1 (0.45) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11279277 0.90 SPHK1 (0.45) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11273940 0.90 SPHK1 (0.45) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11283612 0.90 SPHK1 (0.45) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11280844 0.90 SPHK1 (0.45) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11275950 0.90 SPHK1 (0.45) 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