Sugi Predict

Sugi Predict / Compounds / SCHEMBL9757895

SCHEMBL9757895

SCHEMBL9757895

CCCCCc1ccc(-c2ccc(C3CCC(C)(CCC)CC3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 13/20 0.56
▸ SPHK2 Q9NRA0 7/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.42
▸ RARB P10826 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL9759274 0.99 SPHK1 (0.58) SPHK1SPHK2RARBTSHRHSD17B10
SCHEMBL9758638 0.96 SPHK1 (0.50) SPHK1SPHK2HRH3RARB
SCHEMBL9758505 0.96 SPHK1 (0.59) SPHK1SPHK2HSD17B10
SCHEMBL9758496 0.96 SPHK1 (0.59) SPHK1SPHK2HSD17B10
SCHEMBL9758896 0.95 SPHK1 (0.56) SPHK1SPHK2HRH3RARBTSHR
SCHEMBL9758368 0.95 SPHK1 (0.56) SPHK1SPHK2HRH3RARBTSHR
SCHEMBL9758355 0.94 SPHK1 (0.62) SPHK1SPHK2HSD17B10
SCHEMBL9758352 0.94 SPHK1 (0.62) SPHK1SPHK2HSD17B10
SCHEMBL9759158 0.93 SPHK1 (0.58) SPHK1SPHK2RARBTSHRHSD17B10
SCHEMBL9757871 0.93 SPHK1 (0.58) SPHK1SPHK2RARBTSHRHSD17B10

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