SCHEMBL3634638

SCHEMBL3634638

NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)CCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 8/20 0.51
▸ OPRM1 P35372 7/20 0.51
▸ OPRK1 P41145 2/20 0.51
▸ NAALAD2 Q9Y3Q0 1/20 0.48
▸ MMP1 P03956 1/20 0.47
▸ FCER2 P06734 1/20 0.47
▸ SLC15A1 P46059 1/20 0.47
▸ APC P25054 1/20 0.45
▸ LTA4H P09960 1/20 0.45

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
SCHEMBL3772408 0.92 NAALAD2 (0.59) OPRD1OPRM1OPRK1NAALAD2SLC15A1
SCHEMBL29349961 0.92 NAALAD2 (0.59) OPRD1OPRM1OPRK1NAALAD2SLC15A1
SCHEMBL9419209 0.89 OPRD1 (0.61) OPRD1OPRM1OPRK1MMP1FCER2
SCHEMBL9419204 0.89 OPRD1 (0.61) OPRD1OPRM1OPRK1MMP1FCER2
SCHEMBL31170900 0.88 OPRD1 (0.52) OPRD1OPRM1OPRK1NAALAD2
SCHEMBL31672251 0.87 NAALAD2 (0.55) NAALAD2MMP1FCER2SLC15A1LTA4H
SCHEMBL29339855 0.87 OPRD1 (0.51) OPRD1OPRM1OPRK1NAALAD2SLC15A1
SCHEMBL30880911 0.87 NAALAD2 (0.57) OPRD1OPRM1OPRK1NAALAD2
SCHEMBL10601764 0.86 OPRD1 (0.52) OPRD1OPRM1OPRK1NAALAD2
SCHEMBL30772213 0.85 OPRD1 (0.59) OPRD1OPRM1OPRK1LTA4H

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-2155884-A1 PROCESS FOR SELECTIVE ENZYMATIC HYDROLYSIS OF PENDANT ESTERS OF A POLYMER DSM IP Assets B.V. (NL) 2010-02-24 — — EP disclosed
WO-2008155381-A1 PROCESS FOR SELECTIVE ENZYMATIC HYDROLYSIS OF PENDANT ESTERS OF A POLYMER DSM IP ASSETS B.V. (NL) 2008-12-24 — — WO disclosed
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