SCHEMBL8448273

SCHEMBL8448273

CCCCCCc1ccc([C@H]2CC[C@H](CCc3ccc(-c4ccc(Cl)c(F)c4)c(F)c3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.46
RARB P10826 3/20 0.43
SPHK2 Q9NRA0 7/20 0.41
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
SCHEMBL8447439 1.00 SPHK1 (0.46) SPHK1RARBSPHK2RARARARG
SCHEMBL8448277 1.00 SPHK1 (0.46) SPHK1RARBSPHK2RARARARG
SCHEMBL8447434 1.00 SPHK1 (0.46) SPHK1RARBSPHK2RARARARG
SCHEMBL8453764 0.99 SPHK1 (0.44) SPHK1RARBSPHK2RARARARG
SCHEMBL8453769 0.99 SPHK1 (0.44) SPHK1RARBSPHK2RARARARG
SCHEMBL8447565 0.96 SPHK1 (0.40) SPHK1RARBSPHK2
SCHEMBL8447562 0.96 SPHK1 (0.40) SPHK1RARBSPHK2
SCHEMBL8455944 0.94 RARB (0.47) SPHK1RARBRARARARG
SCHEMBL8453689 0.94 RARB (0.47) SPHK1RARBRARARARG
SCHEMBL8453698 0.94 RARB (0.47) SPHK1RARBRARARARG

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