SCHEMBL9477256

SCHEMBL9477256

CCCCCCc1ccc(-c2ccc([C@H]3CC[C@H](CC/C=C/F)CC3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.54
SPHK2 Q9NRA0 7/20 0.48
RARB P10826 3/20 0.39
RARA P10276 1/20 0.39
RARG P13631 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL9477279 1.00 SPHK1 (0.54) SPHK1SPHK2RARBRARARARG
SCHEMBL9477267 1.00 SPHK1 (0.54) SPHK1SPHK2RARBRARARARG
SCHEMBL9477273 1.00 SPHK1 (0.54) SPHK1SPHK2RARBRARARARG
SCHEMBL9478281 0.99 SPHK1 (0.52) SPHK1SPHK2RARBRARARARG
SCHEMBL9478269 0.99 SPHK1 (0.52) SPHK1SPHK2RARBRARARARG
SCHEMBL9478261 0.99 SPHK1 (0.52) SPHK1SPHK2RARBRARARARG
SCHEMBL9478252 0.99 SPHK1 (0.52) SPHK1SPHK2RARBRARARARG
SCHEMBL9477695 0.96 SPHK1 (0.58) SPHK1SPHK2HSD17B10
SCHEMBL9477678 0.96 SPHK1 (0.58) SPHK1SPHK2HSD17B10
SCHEMBL9477663 0.96 SPHK1 (0.58) SPHK1SPHK2HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0377469-B1 A LIQUID CRYSTALLINE COMPOUND CHISSO CORPORATION (JP) 1993-10-06 EP disclosed
US-5183587-A LIQUID CRYSTALLINE COMPOUND CHISSO CORPORATION (JP) 1993-02-02 US disclosed
EP-0377469-A1 A liquid crystalline compound CHISSO CORPORATION (JP) 1990-07-11 EP disclosed