SCHEMBL11280596

SCHEMBL11280596

CCCCCCCCC1CCC(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 2/20 0.46
HTR2C P28335 2/20 0.45
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
SPHK1 Q9NYA1 3/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
LSS P48449 1/20 0.42
CYP2C9 P11712 1/20 0.42
DGAT1 O75907 1/20 0.40
SOAT1 P35610 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR2 P34972 4/20 0.39

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
SCHEMBL11279377 1.00 P2RY14 (0.46) P2RY14HTR2CMAPTGAASPHK1
SCHEMBL11277537 1.00 P2RY14 (0.46) P2RY14HTR2CMAPTGAASPHK1
SCHEMBL11286293 1.00 P2RY14 (0.46) P2RY14HTR2CMAPTGAASPHK1
SCHEMBL11287293 1.00 P2RY14 (0.46) P2RY14HTR2CMAPTGAASPHK1
SCHEMBL11285346 0.99 HTR2C (0.46) P2RY14HTR2CMAPTGAASPHK1
SCHEMBL10453440 0.99 HTR2C (0.46) P2RY14HTR2CMAPTGAASPHK1
SCHEMBL8997244 0.96 HTR2C (0.49) HTR2CMAPTGAASPHK1ALDH1A1
SCHEMBL8997312 0.96 HTR2C (0.49) HTR2CMAPTGAASPHK1ALDH1A1
SCHEMBL11286081 0.94 HTR2C (0.47) P2RY14HTR2CMAPTGAASPHK1
SCHEMBL9351954 0.94 HTR2C (0.47) HTR2CMAPTGAASPHK1ALDH1A1

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