SCHEMBL9757871

SCHEMBL9757871

CCCCCCCc1ccc(-c2ccc(C3CCC(C)(CCCCC)CC3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.58
SPHK2 Q9NRA0 7/20 0.50
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RARB P10826 4/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RARA P10276 1/20 0.43
MAPT P10636 1/20 0.43
MTOR P42345 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL9759256 1.00 SPHK1 (0.58) SPHK1SPHK2TSHRHSD17B10RARB
SCHEMBL9759158 1.00 SPHK1 (0.58) SPHK1SPHK2TSHRHSD17B10RARB
SCHEMBL9758368 0.99 SPHK1 (0.56) SPHK1SPHK2TSHRHSD17B10RARB
SCHEMBL9759747 0.97 SPHK1 (0.58) SPHK1SPHK2TSHRHSD17B10RARB
SCHEMBL9759647 0.97 SPHK1 (0.54) SPHK1SPHK2TSHRHSD17B10RARB
SCHEMBL9758003 0.96 SPHK1 (0.52) SPHK1SPHK2TSHRHSD17B10RARB
SCHEMBL9758896 0.96 SPHK1 (0.56) SPHK1SPHK2TSHRHSD17B10RARB
SCHEMBL9758924 0.96 SPHK1 (0.62) SPHK1SPHK2HSD17B10ALDH1A1
SCHEMBL9758929 0.96 SPHK1 (0.62) SPHK1SPHK2HSD17B10ALDH1A1
SCHEMBL9759580 0.95 SPHK1 (0.51) SPHK1SPHK2TSHRHSD17B10RARB

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