SCHEMBL8448477

SCHEMBL8448477

CCCCCCCc1ccc(C2CCC(CCc3ccc(-c4ccc(Cl)c(F)c4)cc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.50
RARB P10826 4/20 0.46
RARA P10276 1/20 0.46
RARG P13631 1/20 0.46
SPHK2 Q9NRA0 7/20 0.45

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
SCHEMBL8448471 1.00 SPHK1 (0.50) SPHK1RARBRARARARGSPHK2
SCHEMBL8764725 1.00 SPHK1 (0.50) SPHK1RARBRARARARGSPHK2
SCHEMBL8764719 1.00 SPHK1 (0.50) SPHK1RARBRARARARGSPHK2
SCHEMBL8448204 0.99 SPHK1 (0.48) SPHK1RARBRARARARGSPHK2
SCHEMBL8448202 0.99 SPHK1 (0.48) SPHK1RARBRARARARGSPHK2
SCHEMBL8453455 0.96 SPHK1 (0.43) SPHK1RARBRARARARGSPHK2
SCHEMBL8453459 0.96 SPHK1 (0.43) SPHK1RARBRARARARGSPHK2
SCHEMBL8453530 0.93 RARB (0.52) SPHK1RARBRARARARG
SCHEMBL8453517 0.93 RARB (0.52) SPHK1RARBRARARARG
SCHEMBL8453523 0.93 RARB (0.52) 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