SCHEMBL6560883

SCHEMBL6560883

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

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 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
SCHEMBL6560873 0.88 HSD17B10 (0.34) HSD17B10
SCHEMBL6560898 0.84 HSD17B10 (0.32) HSD17B10
SCHEMBL7115814 0.74 HSD17B10 (0.36) HSD17B10
SCHEMBL6560847 0.71 KMT2A (0.35)
SCHEMBL6560942 0.71 KMT2A (0.36)
SCHEMBL6562236 0.69 CA2 (0.33)
SCHEMBL439881 0.69 HSD17B10 (0.33) HSD17B10
SCHEMBL439880 0.69 HSD17B10 (0.33) HSD17B10
SCHEMBL439925 0.69 HSD17B10 (0.33) HSD17B10
SCHEMBL9278053 0.68 P2RY6 (0.52) HSD17B10

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