SCHEMBL11280959

SCHEMBL11280959

CCCC1CCC(c2ccc(-c3ccc(OCC(C)CC)cc3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.45
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
FFAR1 O14842 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
ESR2 Q92731 1/20 0.35
RAB9A P51151 2/20 0.35
DRD2 P14416 1/20 0.35
HRH3 Q9Y5N1 4/20 0.34
GPR88 Q9GZN0 1/20 0.34
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
NLRP3 Q96P20 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 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
SCHEMBL11275191 0.93 RAB9A (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11284189 0.91 RAB9A (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11285684 0.90 RAB9A (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11285915 0.90 RAB9A (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11283114 0.90 RAB9A (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11271548 0.90 RAB9A (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11278902 0.90 RAB9A (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11288482 0.90 RAB9A (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11283596 0.90 RAB9A (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11273004 0.90 FFAR1 (0.39) FFAR1SIGMAR1RAB9AHRH3GPR88

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