SCHEMBL9478281

SCHEMBL9478281

CCCCCc1ccc(-c2ccc([C@H]3CC[C@H](CCC=CF)CC3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.52
SPHK2 Q9NRA0 7/20 0.46
HRH3 Q9Y5N1 1/20 0.38
RARB P10826 3/20 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
SCHEMBL9478261 1.00 SPHK1 (0.52) SPHK1SPHK2HRH3RARBRARA
SCHEMBL9478252 1.00 SPHK1 (0.52) SPHK1SPHK2HRH3RARBRARA
SCHEMBL9478269 1.00 SPHK1 (0.52) SPHK1SPHK2HRH3RARBRARA
SCHEMBL9477256 0.99 SPHK1 (0.54) SPHK1SPHK2RARBRARARARG
SCHEMBL9477273 0.99 SPHK1 (0.54) SPHK1SPHK2RARBRARARARG
SCHEMBL9477267 0.99 SPHK1 (0.54) SPHK1SPHK2RARBRARARARG
SCHEMBL9477279 0.99 SPHK1 (0.54) SPHK1SPHK2RARBRARARARG
SCHEMBL9477936 0.96 SPHK1 (0.47) SPHK1SPHK2
SCHEMBL9477930 0.96 SPHK1 (0.47) SPHK1SPHK2
SCHEMBL9477945 0.96 SPHK1 (0.47) SPHK1SPHK2

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