SCHEMBL11114552

SCHEMBL11114552

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.41
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
MAPK1 P28482 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 2/20 0.38
ESR2 Q92731 2/20 0.37
SPHK1 Q9NYA1 3/20 0.36
GAA P10253 3/20 0.36
NPC1 O15118 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL11114554 1.00 CYP2C9 (0.41) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL11117880 0.95 CYP2C9 (0.40) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL11117883 0.95 CYP2C9 (0.40) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL7902394 0.94 CYP2C9 (0.41) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL7902391 0.94 CYP2C9 (0.41) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL11117177 0.94 SPHK1 (0.40) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL11117176 0.94 SPHK1 (0.40) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL10043255 0.93 CYP2C9 (0.37) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL11113415 0.92 CYP2C9 (0.44) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL10043256 0.92 CYP2C9 (0.38) CYP2C9MAPTMEN1MAPK1KMT2A

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