SCHEMBL11273223

SCHEMBL11273223

CCCCCCCCCCCOc1ccc(-c2ccc(C3CCC(CCCCCC)CC3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.48
RAB9A P51151 1/20 0.47
S1PR3 Q99500 1/20 0.47
NR5A1 Q13285 1/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
HRH3 Q9Y5N1 1/20 0.44
LTA4H P09960 1/20 0.43
SPHK1 Q9NYA1 1/20 0.42
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL11289307 1.00 RARB (0.48) RARBRAB9AS1PR3NR5A1LMNA
SCHEMBL11273931 1.00 RARB (0.48) RARBRAB9AS1PR3NR5A1LMNA
SCHEMBL11270594 1.00 RARB (0.48) RARBRAB9AS1PR3NR5A1LMNA
SCHEMBL11284050 1.00 RARB (0.48) RARBRAB9AS1PR3NR5A1LMNA
SCHEMBL11281474 1.00 RARB (0.48) RARBRAB9AS1PR3NR5A1LMNA
SCHEMBL11285063 1.00 RARB (0.48) RARBRAB9AS1PR3NR5A1LMNA
SCHEMBL11284978 1.00 RARB (0.48) RARBRAB9AS1PR3NR5A1LMNA
SCHEMBL11287137 1.00 RARB (0.48) RARBRAB9AS1PR3NR5A1LMNA
SCHEMBL11279175 1.00 RARB (0.48) RARBRAB9AS1PR3NR5A1LMNA
SCHEMBL11276219 1.00 RARB (0.48) RARBRAB9AS1PR3NR5A1LMNA

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