SCHEMBL8454098

SCHEMBL8454098

CCCCCCCc1ccc([C@H]2CC[C@H](CC[C@H]3CC[C@H](/C=C/CCF)CC3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.52
SPHK2 Q9NRA0 7/20 0.46
HTR2A P28223 1/20 0.37
S1PR4 O95977 2/20 0.36
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
S1PR5 Q9H228 2/20 0.36
S1PR2 O95136 1/20 0.36
CYP2C9 P11712 1/20 0.35
SGPL1 O95470 1/20 0.34
GPR183 P32249 1/20 0.34
TNNC1 P63316 1/20 0.34
CERS2 Q96G23 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
SCHEMBL8454100 1.00 SPHK1 (0.52) SPHK1SPHK2HTR2AS1PR4S1PR1
SCHEMBL8454105 1.00 SPHK1 (0.52) SPHK1SPHK2HTR2AS1PR4S1PR1
SCHEMBL8455266 0.99 SPHK1 (0.50) SPHK1SPHK2HTR2ACYP2C9
SCHEMBL8455260 0.99 SPHK1 (0.50) SPHK1SPHK2HTR2ACYP2C9
SCHEMBL8455257 0.99 SPHK1 (0.50) SPHK1SPHK2HTR2ACYP2C9
SCHEMBL8455663 0.93 SPHK1 (0.56) SPHK1SPHK2HTR2A
SCHEMBL8455668 0.93 SPHK1 (0.56) SPHK1SPHK2HTR2A
SCHEMBL8455673 0.93 SPHK1 (0.56) SPHK1SPHK2HTR2A
SCHEMBL8453145 0.91 SPHK1 (0.54) SPHK1SPHK2HTR2A
SCHEMBL8453152 0.91 SPHK1 (0.54) SPHK1SPHK2HTR2A

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