SCHEMBL8450977

SCHEMBL8450977

CCCCCCc1ccc(C2CCC(CCc3cc(F)c(-c4ccc(Cl)c(F)c4)c(F)c3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.46
SPHK2 Q9NRA0 7/20 0.42
RARB P10826 3/20 0.39
RARA P10276 1/20 0.39
RARG P13631 1/20 0.39
S1PR2 O95136 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 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
SCHEMBL8450972 1.00 SPHK1 (0.46) SPHK1SPHK2RARBRARARARG
SCHEMBL8453708 0.99 SPHK1 (0.45) SPHK1SPHK2RARBRARARARG
SCHEMBL8453716 0.99 SPHK1 (0.45) SPHK1SPHK2RARBRARARARG
SCHEMBL8447369 0.96 SPHK1 (0.40) SPHK1SPHK2RARBRARARARG
SCHEMBL8447365 0.96 SPHK1 (0.40) SPHK1SPHK2RARBRARARARG
SCHEMBL8452045 0.94 RARB (0.43) SPHK1SPHK2RARBRARARARG
SCHEMBL8452049 0.94 RARB (0.43) SPHK1SPHK2RARBRARARARG
SCHEMBL8452242 0.94 RARB (0.43) SPHK1SPHK2RARBRARARARG
SCHEMBL8452245 0.94 RARB (0.43) SPHK1SPHK2RARBRARARARG
SCHEMBL8451776 0.93 RARB (0.41) SPHK1SPHK2RARBRARARARG

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