SCHEMBL11117880

SCHEMBL11117880

CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc([C@H]4CC[C@H](CCCCC)CC4)cc3F)c(F)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
SPHK1 Q9NYA1 8/20 0.38
GAA P10253 1/20 0.38
ESR2 Q92731 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR1 P21453 1/20 0.34
SGPL1 O95470 1/20 0.34
SPHK2 Q9NRA0 4/20 0.34
PDK2 Q15119 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
SCHEMBL11117883 1.00 CYP2C9 (0.40) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL11117177 0.99 SPHK1 (0.40) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL11117176 0.99 SPHK1 (0.40) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL10043256 0.96 CYP2C9 (0.38) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL11114552 0.95 CYP2C9 (0.41) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL11114554 0.95 CYP2C9 (0.41) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL9250291 0.95 CYP2C9 (0.37) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL10043258 0.95 SPHK1 (0.38) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL10043255 0.95 CYP2C9 (0.37) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL10043072 0.93 CYP2C9 (0.42) CYP2C9MAPTMEN1KMT2AALDH1A1

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-0064193-B1 4,4'-BIS-(CYCLOHEXYL)-BIPHENYL DERIVATIVES THAT CONTAIN FLUORINE, DIELECTRICS CONTAINING THEM, AND ELECTRO-OPTICAL INDICATOR ELEMENT MERCK PATENT GmbH (DE) 1984-07-25 EP disclosed
US-4419264-A Fluorine-containing 4,4'-bis-(cyclohexyl)-biphenyl derivatives, and dielectrics and electro-optical display elements containing them MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-12-06 US disclosed
EP-0064193-A1 4,4'-Bis-(cyclohexyl)-biphenyl derivatives that contain fluorine, dielectrics containing them, and electro-optical indicator element MERCK PATENT GmbH (DE) 1982-11-10 EP disclosed