SCHEMBL11114294

SCHEMBL11114294

CCCC1CCC(c2ccc(-c3cc(F)c(C4CCC(CCC)CC4)cc3F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.46
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
ESR2 Q92731 3/20 0.39
CYP3A4 P08684 4/20 0.39
OPRL1 P41146 8/20 0.36
APP P05067 2/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
ESR1 P03372 1/20 0.35
DGAT1 O75907 1/20 0.34
SOAT1 P35610 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
SCHEMBL11114289 1.00 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7902498 0.93 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7902496 0.93 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8217715 0.92 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8217759 0.92 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9255003 0.91 CYP2C9 (0.49) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8218394 0.90 ALDH1A1 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8218395 0.88 CYP2C9 (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19789502 0.85 CYP2C9 (0.49) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL165846 0.85 CYP2C9 (0.49) CYP2C9ALDH1A1LMNAMAPTMEN1

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