SCHEMBL9507806

SCHEMBL9507806

CCCCc1ccc(-c2ccc(C3CCC(C/C=C/F)CC3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.49
SPHK2 Q9NRA0 7/20 0.43
RARB P10826 1/20 0.38
NISCH Q9Y2I1 1/20 0.35

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
SCHEMBL9507821 1.00 SPHK1 (0.49) SPHK1SPHK2RARBNISCH
SCHEMBL9507797 1.00 SPHK1 (0.49) SPHK1SPHK2RARBNISCH
SCHEMBL9507811 1.00 SPHK1 (0.49) SPHK1SPHK2RARBNISCH
SCHEMBL9509132 0.96 SPHK1 (0.54) SPHK1SPHK2RARB
SCHEMBL9509118 0.96 SPHK1 (0.54) SPHK1SPHK2RARB
SCHEMBL9509123 0.96 SPHK1 (0.54) SPHK1SPHK2RARB
SCHEMBL9509128 0.96 SPHK1 (0.54) SPHK1SPHK2RARB
SCHEMBL9477543 0.96 SPHK1 (0.52) SPHK1SPHK2
SCHEMBL9477555 0.96 SPHK1 (0.52) SPHK1SPHK2
SCHEMBL9477548 0.96 SPHK1 (0.52) 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 2 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
EP-0377469-A1 A liquid crystalline compound CHISSO CORPORATION (JP) 1990-07-11 EP disclosed