SCHEMBL6560898

SCHEMBL6560898

CC(C)(CN(CC(=O)O)CC(=O)O)CN(CCC(Cc1ccc(N=C=S)cc1)N(CC(=O)O)CC(=O)O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.32
OPRD1 P41143 1/20 0.31
P2RY6 Q15077 1/20 0.30

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
SCHEMBL7115814 0.87 HSD17B10 (0.36) HSD17B10OPRD1P2RY6
SCHEMBL6560883 0.84 HSD17B10 (0.30) HSD17B10
SCHEMBL1743117 0.78 HSD17B10 (0.43) HSD17B10OPRD1P2RY6
SCHEMBL29402282 0.78 HSD17B10 (0.43) HSD17B10OPRD1P2RY6
SCHEMBL141450 0.76 HSD17B10 (0.39) HSD17B10OPRD1P2RY6
SCHEMBL6757638 0.76 HSD17B10 (0.39) HSD17B10OPRD1P2RY6
SCHEMBL6550277 0.76 HSD17B10 (0.39) HSD17B10OPRD1P2RY6
SCHEMBL12847616 0.74 HSD17B10 (0.38) HSD17B10OPRD1P2RY6
SCHEMBL9429585 0.74 HSD17B10 (0.39) HSD17B10OPRD1P2RY6
SCHEMBL6560873 0.74 HSD17B10 (0.34) HSD17B10OPRD1P2RY6

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
EP-1397339-A1 (ETHYLENE)-(PROPYLENE)-TRIAMINEPENTAACETIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE FOR THE PRODUCTION OF PHARMACEUTICAL AGENTS Schering Aktiengesellschaft (DE) 2004-03-17 EP disclosed
WO-2003000647-A1 (ETHYLENE)-(PROPYLENE)-TRIAMINEPENTAACETIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE FOR THE PRODUCTION OF PHARMACEUTICAL AGENTS SCHERING AG (DE) 2003-01-03 WO disclosed