SCHEMBL8447369

SCHEMBL8447369

CCCCc1ccc(C2CCC(CCc3cc(F)c(-c4ccc(Cl)c(F)c4)c(F)c3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.40
SPHK2 Q9NRA0 7/20 0.36
RARB P10826 2/20 0.33
RARA P10276 1/20 0.33
RARG P13631 1/20 0.33
PROKR1 Q8TCW9 1/20 0.33

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
SCHEMBL8447365 1.00 SPHK1 (0.40) SPHK1SPHK2RARBRARARARG
SCHEMBL8453708 0.97 SPHK1 (0.45) SPHK1SPHK2RARBRARARARG
SCHEMBL8453716 0.97 SPHK1 (0.45) SPHK1SPHK2RARBRARARARG
SCHEMBL8450977 0.96 SPHK1 (0.46) SPHK1SPHK2RARBRARARARG
SCHEMBL8450972 0.96 SPHK1 (0.46) SPHK1SPHK2RARBRARARARG
SCHEMBL8453692 0.94 MAOA (0.35) SPHK1SPHK2PROKR1
SCHEMBL8453697 0.94 MAOA (0.35) SPHK1SPHK2PROKR1
SCHEMBL8447708 0.94 RARB (0.37) RARBRARARARGPROKR1
SCHEMBL8447705 0.94 RARB (0.37) RARBRARARARGPROKR1
SCHEMBL8453459 0.92 SPHK1 (0.43) 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