SCHEMBL8455266

SCHEMBL8455266

CCCCCc1ccc([C@H]2CC[C@H](CC[C@H]3CC[C@H](C=CCCF)CC3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.50
SPHK2 Q9NRA0 7/20 0.45
CYP2C9 P11712 1/20 0.36
HTR2A P28223 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 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
SCHEMBL8455260 1.00 SPHK1 (0.50) SPHK1SPHK2CYP2C9HTR2AALDH1A1
SCHEMBL8455257 1.00 SPHK1 (0.50) SPHK1SPHK2CYP2C9HTR2AALDH1A1
SCHEMBL8454098 0.99 SPHK1 (0.52) SPHK1SPHK2CYP2C9HTR2A
SCHEMBL8454105 0.99 SPHK1 (0.52) SPHK1SPHK2CYP2C9HTR2A
SCHEMBL8454100 0.99 SPHK1 (0.52) SPHK1SPHK2CYP2C9HTR2A
SCHEMBL8455673 0.94 SPHK1 (0.56) SPHK1SPHK2HTR2AALDH1A1LMNA
SCHEMBL8455668 0.94 SPHK1 (0.56) SPHK1SPHK2HTR2AALDH1A1LMNA
SCHEMBL8455663 0.94 SPHK1 (0.56) SPHK1SPHK2HTR2AALDH1A1LMNA
SCHEMBL8454337 0.92 SPHK1 (0.39) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL8454333 0.92 SPHK1 (0.39) SPHK1SPHK2CYP2C9ALDH1A1LMNA

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