SCHEMBL9758638

SCHEMBL9758638

CCCCc1ccc(-c2ccc(C3CCC(C)(CCC)CC3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.50
SPHK2 Q9NRA0 7/20 0.43
RARB P10826 1/20 0.40
NISCH Q9Y2I1 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL9757895 0.96 SPHK1 (0.56) SPHK1SPHK2RARBHRH3
SCHEMBL9757834 0.96 SPHK1 (0.54) SPHK1SPHK2
SCHEMBL9757832 0.96 SPHK1 (0.54) SPHK1SPHK2
SCHEMBL9759274 0.95 SPHK1 (0.58) SPHK1SPHK2RARB
SCHEMBL9758498 0.94 SPHK1 (0.50) SPHK1SPHK2RARBNISCHHRH3
SCHEMBL9758003 0.93 SPHK1 (0.52) SPHK1SPHK2RARBHRH3
SCHEMBL9759647 0.92 SPHK1 (0.54) SPHK1SPHK2RARB
SCHEMBL9758496 0.92 SPHK1 (0.59) SPHK1SPHK2
SCHEMBL9759358 0.92 SPHK1 (0.43) SPHK1SPHK2
SCHEMBL9758505 0.92 SPHK1 (0.59) 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
US-4985583-A Liquid Crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-01-15 US disclosed
EP-0154849-A2 Cyclohexane derivatives MERCK PATENT GmbH (DE) 1985-09-18 EP disclosed