SCHEMBL24029616

SCHEMBL24029616

Cc1ccccc1Cc1ccc(CCCC(=O)NC(C)(C)C(=O)N2CCN(CC=O)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 16/20 0.53
SLC5A2 P31639 14/20 0.53
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
AR P10275 1/20 0.40
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39

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
SCHEMBL24029901 0.90 SLC5A1 (0.54) SLC5A1SLC5A2RAB9AARALPL
SCHEMBL21028588 0.88 SLC5A1 (0.64) SLC5A1SLC5A2AR
SCHEMBL24029612 0.81 SLC5A1 (0.47) SLC5A1SLC5A2ARALPLALPI
SCHEMBL21028847 0.77 SLC5A1 (0.66) SLC5A1SLC5A2NPC1RAB9A
SCHEMBL24029783 0.77 SLC5A1 (0.46) SLC5A1SLC5A2NPC1RAB9A
SCHEMBL24030004 0.77 SLC5A1 (0.47) SLC5A1SLC5A2
SCHEMBL24030116 0.76 SLC5A1 (0.47) SLC5A1SLC5A2
SCHEMBL20803461 0.75 SLC5A1 (0.51) SLC5A1SLC5A2
SCHEMBL24038262 0.73 SLC5A1 (0.47) SLC5A1SLC5A2
SCHEMBL24038314 0.71 HRH3 (0.54)

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
WO-2021227440-A1 A CLASS OF ARYL GLUCOSIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海喆邺生物科技有限公司 2021-11-18 WO disclosed