SCHEMBL11277384

SCHEMBL11277384

CCCC(C)Cc1ccc(-c2ccc(C3CCC(C)CC3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.42
SPHK1 Q9NYA1 10/20 0.38
HRH3 Q9Y5N1 2/20 0.36
BDKRB2 P30411 2/20 0.34
SPHK2 Q9NRA0 6/20 0.33
FFAR1 O14842 1/20 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
SCHEMBL11274428 0.88 ESR2 (0.45) ESR2SPHK1HRH3SPHK2FFAR1
SCHEMBL11275714 0.87 SPHK1 (0.37) ESR2SPHK1BDKRB2SPHK2
SCHEMBL11279340 0.86 CYP2C9 (0.47) ESR2SPHK1BDKRB2SPHK2
SCHEMBL11282757 0.84 SPHK1 (0.40) SPHK1BDKRB2SPHK2
SCHEMBL11275180 0.83 SPHK1 (0.42) SPHK1BDKRB2SPHK2
SCHEMBL11289161 0.82 SPHK1 (0.44) SPHK1BDKRB2SPHK2
SCHEMBL11289706 0.82 SPHK1 (0.44) SPHK1BDKRB2SPHK2
SCHEMBL11279466 0.82 SPHK1 (0.44) SPHK1BDKRB2SPHK2
SCHEMBL11275591 0.82 SPHK1 (0.44) SPHK1BDKRB2SPHK2
SCHEMBL11273974 0.82 SPHK1 (0.44) SPHK1BDKRB2SPHK2

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