SCHEMBL8454331

SCHEMBL8454331

CCCc1ccc([C@H]2CC[C@H](CC[C@H]3CC[C@H](/C=C/CCF)CC3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.39
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
SPHK2 Q9NRA0 7/20 0.34
ESR2 Q92731 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 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
SCHEMBL8454333 1.00 SPHK1 (0.39) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8454337 1.00 SPHK1 (0.39) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8454870 0.94 SPHK1 (0.43) SPHK1SPHK2MAOAMAOB
SCHEMBL8454866 0.94 SPHK1 (0.43) SPHK1SPHK2MAOAMAOB
SCHEMBL8454873 0.94 SPHK1 (0.43) SPHK1SPHK2MAOAMAOB
SCHEMBL8455257 0.92 SPHK1 (0.50) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8455260 0.92 SPHK1 (0.50) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8455266 0.92 SPHK1 (0.50) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8454105 0.91 SPHK1 (0.52) SPHK1CYP2C9SPHK2
SCHEMBL8454100 0.91 SPHK1 (0.52) SPHK1CYP2C9SPHK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0679707-B1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 1999-06-16 EP disclosed
US-5720899-A Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1998-02-24 US disclosed
US-5653911-A Liquid crystalline compound liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1997-08-05 US disclosed
EP-0679707-A1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1995-11-02 EP disclosed