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Sugi Predict / Compounds / SCHEMBL11913629

SCHEMBL11913629

SCHEMBL11913629

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

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ MAOB P27338 15/20 0.35
▸ P2RY6 Q15077 1/20 0.35
▸ MAOA P21397 1/20 0.33

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
SCHEMBL11918176 0.93 HSD17B10 (0.38) HSD17B10OPRD1MAOBP2RY6MAOA
SCHEMBL18210946 0.90 HSD17B10 (0.37) HSD17B10OPRD1MAOBP2RY6MAOA
SCHEMBL1743117 0.89 HSD17B10 (0.43) HSD17B10OPRD1MAOBP2RY6
SCHEMBL29402282 0.89 HSD17B10 (0.43) HSD17B10OPRD1MAOBP2RY6
SCHEMBL663119 0.88 HSD17B10 (0.37) HSD17B10OPRD1MAOBP2RY6MAOA
SCHEMBL439882 0.88 HSD17B10 (0.37) HSD17B10OPRD1MAOBP2RY6MAOA
SCHEMBL16607421 0.88 HSD17B10 (0.37) HSD17B10OPRD1MAOBP2RY6MAOA
SCHEMBL439926 0.88 HSD17B10 (0.37) HSD17B10OPRD1MAOBP2RY6MAOA
SCHEMBL20683022 0.88 HSD17B10 (0.37) HSD17B10OPRD1MAOBP2RY6MAOA
SCHEMBL6550277 0.84 HSD17B10 (0.39) HSD17B10OPRD1MAOBP2RY6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580921-B2 Protein nanorings UNIVERSITY OF MINNESOTA (US) 2013-11-12 — — US disclosed
US-20130059359-A1 Protein Nanorings UNIVERSITY OF MINNESOTA (US) 2013-03-07 — — US disclosed
US-8236925-B1 Protein nanorings UNIVERSITY OF MINNESOTA (US) 2012-08-07 — — US disclosed