SCHEMBL9758536

SCHEMBL9758536

CCCCc1ccc(C2CCC(C)(CCCC)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.54
SPHK2 Q9NRA0 7/20 0.46
ESR2 Q92731 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 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
SCHEMBL9758533 1.00 SPHK1 (0.54) SPHK1SPHK2ESR2DDB1CRBN
SCHEMBL9758498 0.96 SPHK1 (0.50) SPHK1SPHK2
SCHEMBL9757708 0.95 SPHK1 (0.59) SPHK1SPHK2
SCHEMBL9757707 0.95 SPHK1 (0.59) SPHK1SPHK2
SCHEMBL9759205 0.95 SPHK1 (0.56) SPHK1SPHK2ESR2
SCHEMBL9759197 0.95 SPHK1 (0.56) SPHK1SPHK2ESR2
SCHEMBL9758345 0.94 SPHK1 (0.62) SPHK1SPHK2
SCHEMBL9758350 0.94 SPHK1 (0.62) SPHK1SPHK2
SCHEMBL9758237 0.94 SPHK1 (0.50) SPHK1SPHK2ESR2
SCHEMBL9758241 0.94 SPHK1 (0.50) SPHK1SPHK2ESR2

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 1 patent. 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