SCHEMBL8452173

SCHEMBL8452173

CCC[C@H]1CC[C@H](CCC2CCC(c3ccc(CCc4ccc(Cl)c(F)c4)cc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.44
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
SPHK1 Q9NYA1 11/20 0.39
PROKR1 Q8TCW9 1/20 0.36
SPHK2 Q9NRA0 7/20 0.35
ESR2 Q92731 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
SCHEMBL8452171 1.00 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8452177 1.00 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8857700 0.99 CYP2C9 (0.45) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8857689 0.99 CYP2C9 (0.45) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8452376 0.93 SPHK1 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8452382 0.93 SPHK1 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8452378 0.93 SPHK1 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8448242 0.93 SPHK1 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8448246 0.93 SPHK1 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8448245 0.93 SPHK1 (0.36) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5858275-A Chlorobenzene derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1999-01-12 US disclosed
EP-0785179-A1 CHLOROBENZENE DERIVATIVE AND LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORPORATION (JP) 1997-07-23 EP disclosed