SCHEMBL8452483

SCHEMBL8452483

CCCCCCc1ccc(C2CCC(CCc3cc(F)c(-c4ccc(Cl)cc4)c(F)c3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.48
SPHK2 Q9NRA0 7/20 0.43
KCNH2 Q12809 3/20 0.39
RARB P10826 2/20 0.38
RARA P10276 1/20 0.38
RARG P13631 1/20 0.38

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
SCHEMBL8452480 1.00 SPHK1 (0.48) SPHK1SPHK2KCNH2RARBRARA
SCHEMBL8447600 1.00 SPHK1 (0.48) SPHK1SPHK2KCNH2RARBRARA
SCHEMBL8447594 1.00 SPHK1 (0.48) SPHK1SPHK2KCNH2RARBRARA
SCHEMBL8455964 0.99 SPHK1 (0.46) SPHK1SPHK2KCNH2RARBRARA
SCHEMBL8455969 0.99 SPHK1 (0.46) SPHK1SPHK2KCNH2RARBRARA
SCHEMBL8456005 0.96 SPHK1 (0.42) SPHK1SPHK2
SCHEMBL8456001 0.96 SPHK1 (0.42) SPHK1SPHK2
SCHEMBL8453796 0.94 KCNH2 (0.43) SPHK1KCNH2RARBRARARARG
SCHEMBL8452270 0.94 KCNH2 (0.43) SPHK1KCNH2RARBRARARARG
SCHEMBL8453799 0.94 KCNH2 (0.43) SPHK1KCNH2RARBRARARARG

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