SCHEMBL11273004

SCHEMBL11273004

CCC(C)COc1ccc(-c2ccc(C3CCC(CC)CC3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
HRH3 Q9Y5N1 6/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
ACACB O00763 2/20 0.34
RAB9A P51151 1/20 0.34
GPR88 Q9GZN0 1/20 0.34

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
SCHEMBL11280959 0.90 CYP2C9 (0.45) FFAR1SIGMAR1HRH3PDE4APDE4B
SCHEMBL11274854 0.88 SIGMAR1 (0.47) FFAR1SIGMAR1HRH3RAB9A
SCHEMBL11275191 0.87 RAB9A (0.39) FFAR1SIGMAR1HRH3RAB9A
SCHEMBL11284189 0.86 RAB9A (0.38) FFAR1SIGMAR1HRH3RAB9AGPR88
SCHEMBL11281220 0.86 RAB9A (0.38) SIGMAR1HRH3ACACBRAB9AGPR88
SCHEMBL11285915 0.85 RAB9A (0.37) FFAR1HRH3RAB9AGPR88
SCHEMBL11285684 0.85 RAB9A (0.37) FFAR1HRH3RAB9AGPR88
SCHEMBL11288482 0.85 RAB9A (0.37) FFAR1HRH3RAB9AGPR88
SCHEMBL11283114 0.85 RAB9A (0.37) FFAR1HRH3RAB9AGPR88
SCHEMBL11278902 0.85 RAB9A (0.37) FFAR1HRH3RAB9AGPR88

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