SCHEMBL11276971

SCHEMBL11276971

CCCCCOc1ccc(-c2ccc(C3CCC(C)CC3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.53
HRH3 Q9Y5N1 4/20 0.48
LMNA P02545 1/20 0.48
RARB P10826 3/20 0.48
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.46
HPGD P15428 1/20 0.46
NR5A1 Q13285 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP2C19 P33261 1/20 0.44
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
LTA4H P09960 1/20 0.44
S1PR3 Q99500 1/20 0.44
CRBN Q96SW2 1/20 0.44
ESR2 Q92731 1/20 0.44

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
SCHEMBL11279143 0.99 RAB9A (0.52) RAB9AHRH3LMNARARBCYP3A4
SCHEMBL11283562 0.99 RAB9A (0.52) RAB9AHRH3LMNARARBCYP3A4
SCHEMBL11302126 0.99 RAB9A (0.52) RAB9AHRH3LMNARARBCYP3A4
SCHEMBL11274828 0.99 RAB9A (0.52) RAB9AHRH3LMNARARBCYP3A4
SCHEMBL11277730 0.99 RAB9A (0.52) RAB9AHRH3LMNARARBCYP3A4
SCHEMBL11285243 0.99 RAB9A (0.52) RAB9AHRH3LMNARARBCYP3A4
SCHEMBL11287135 0.99 RAB9A (0.52) RAB9AHRH3LMNARARBCYP3A4
SCHEMBL11277004 0.97 RAB9A (0.56) RAB9AHRH3RARBCYP3A4CYP2D6
SCHEMBL13402152 0.95 RARB (0.51) RAB9AHRH3LMNARARBCYP3A4
SCHEMBL13402127 0.93 RAB9A (0.48) RAB9AHRH3LMNARARBCYP3A4

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