SCHEMBL13200512

SCHEMBL13200512

C=C(O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ YARS1 P54577 2/20 0.59
▸ OPRD1 P41143 8/20 0.52
▸ SLC7A5 Q01650 1/20 0.51
▸ OPRM1 P35372 5/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ CTSC P53634 1/20 0.48

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
SCHEMBL179024 0.89 YARS1 (0.73) YARS1OPRD1SLC7A5OPRM1OPRK1
SCHEMBL29615665 0.83 OPRD1 (0.59) YARS1OPRD1SLC7A5OPRM1OPRK1
SCHEMBL30946748 0.80 YARS1 (0.60) YARS1SLC7A5CTSC
SCHEMBL29697023 0.80 YARS1 (0.60) YARS1OPRD1SLC7A5OPRM1OPRK1
SCHEMBL13979586 0.79 CTSC (0.57) YARS1SLC7A5CTSC
SCHEMBL13538435 0.79 CTSC (0.57) YARS1SLC7A5CTSC
Phenylalanyltyrosine SCHEMBL4282059 0.77 MME (0.67) OPRD1SLC7A5OPRM1OPRK1
Phenylalanyltyrosine SCHEMBL3037096 0.77 MME (0.67) OPRD1SLC7A5OPRM1OPRK1
SCHEMBL8695556 0.77 MME (0.67) OPRD1SLC7A5OPRM1OPRK1
Phenylalanyltyrosine SCHEMBL31255162 0.77 MME (0.67) OPRD1SLC7A5OPRM1OPRK1

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-2010096170-A2 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-08-26 — — WO disclosed
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