SCHEMBL9759205

SCHEMBL9759205

CCCCCC1(C)CCC(c2ccc(CCCC)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.56
SPHK2 Q9NRA0 7/20 0.48
ESR2 Q92731 1/20 0.37
LPL P06858 1/20 0.37
LIPG Q9Y5X9 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
SCHEMBL9759197 1.00 SPHK1 (0.56) SPHK1SPHK2ESR2LPLLIPG
SCHEMBL9759172 0.97 SPHK1 (0.59) SPHK1SPHK2LPLLIPG
SCHEMBL9759166 0.97 SPHK1 (0.59) SPHK1SPHK2LPLLIPG
SCHEMBL9758003 0.96 SPHK1 (0.52) SPHK1SPHK2
SCHEMBL9758929 0.96 SPHK1 (0.62) SPHK1SPHK2
SCHEMBL9758924 0.96 SPHK1 (0.62) SPHK1SPHK2
SCHEMBL9758533 0.95 SPHK1 (0.54) SPHK1SPHK2ESR2
SCHEMBL9758536 0.95 SPHK1 (0.54) SPHK1SPHK2ESR2
SCHEMBL9759647 0.95 SPHK1 (0.54) SPHK1SPHK2
SCHEMBL9757707 0.94 SPHK1 (0.59) SPHK1SPHK2LPLLIPG

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