SCHEMBL9758955

SCHEMBL9758955

CCCc1ccc(C2CCC(C)(CCC)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.46
ESR2 Q92731 2/20 0.40
SPHK2 Q9NRA0 7/20 0.39
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36

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
SCHEMBL9758949 1.00 SPHK1 (0.46) SPHK1ESR2SPHK2LPLLIPG
SCHEMBL9759358 0.95 SPHK1 (0.43) SPHK1ESR2SPHK2
SCHEMBL9757834 0.91 SPHK1 (0.54) SPHK1ESR2SPHK2
SCHEMBL9758237 0.91 SPHK1 (0.50) SPHK1ESR2SPHK2
SCHEMBL9758241 0.91 SPHK1 (0.50) SPHK1ESR2SPHK2
SCHEMBL9757832 0.91 SPHK1 (0.54) SPHK1ESR2SPHK2
SCHEMBL9759147 0.89 SPHK1 (0.52) SPHK1ESR2SPHK2
SCHEMBL9759141 0.89 SPHK1 (0.52) SPHK1ESR2SPHK2
SCHEMBL9758496 0.89 SPHK1 (0.59) SPHK1SPHK2LPLLIPG
SCHEMBL9758505 0.89 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