SCHEMBL8448570

SCHEMBL8448570

CCCCCCCc1ccc([C@H]2CC[C@H](CCc3ccc(CCc4cc(F)c(Cl)c(F)c4)cc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.53
SPHK2 Q9NRA0 7/20 0.47
HTR2A P28223 1/20 0.38
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
RARB P10826 2/20 0.36
RARA P10276 1/20 0.36
RARG P13631 1/20 0.36

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
SCHEMBL8452046 1.00 SPHK1 (0.53) SPHK1SPHK2HTR2AS1PR2S1PR4
SCHEMBL8452042 1.00 SPHK1 (0.53) SPHK1SPHK2HTR2AS1PR2S1PR4
SCHEMBL8448572 1.00 SPHK1 (0.53) SPHK1SPHK2HTR2AS1PR2S1PR4
SCHEMBL8447492 0.99 SPHK1 (0.51) SPHK1SPHK2HTR2A
SCHEMBL8447497 0.99 SPHK1 (0.51) SPHK1SPHK2HTR2A
SCHEMBL8452178 0.96 SPHK1 (0.49) SPHK1SPHK2HTR2AS1PR2S1PR4
SCHEMBL8452215 0.96 SPHK1 (0.49) SPHK1SPHK2HTR2AS1PR2S1PR4
SCHEMBL8452219 0.96 SPHK1 (0.49) SPHK1SPHK2HTR2AS1PR2S1PR4
SCHEMBL8452175 0.96 SPHK1 (0.49) SPHK1SPHK2HTR2AS1PR2S1PR4
SCHEMBL8447751 0.95 SPHK1 (0.46) SPHK1SPHK2

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