SCHEMBL8718184

SCHEMBL8718184

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 6/20 0.62
▸ NMUR1 Q9HB89 6/20 0.62
▸ OPRD1 P41143 6/20 0.57
▸ OPRM1 P35372 2/20 0.57
▸ KEAP1 Q14145 1/20 0.55
▸ MAPK8 P45983 1/20 0.55
▸ MAPK9 P45984 1/20 0.55
▸ MAPK10 P53779 1/20 0.55
▸ RAMP3 O60896 1/20 0.55
▸ CALCR P30988 1/20 0.55

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
SCHEMBL8718177 1.00 NMUR2 (0.62) NMUR2NMUR1OPRD1OPRM1KEAP1
SCHEMBL30560006 0.90 NMUR2 (0.71) NMUR2NMUR1OPRD1OPRM1KEAP1
SCHEMBL31285757 0.88 NMUR2 (0.68) NMUR2NMUR1OPRD1OPRM1MAPK8
SCHEMBL29993928 0.88 NMUR2 (0.51) NMUR2NMUR1OPRD1OPRM1KEAP1
SCHEMBL30834921 0.86 NMUR2 (0.65) NMUR2NMUR1OPRD1OPRM1KEAP1
SCHEMBL31167377 0.86 NTSR1 (0.63) NMUR2NMUR1OPRD1MAPK8MAPK9
SCHEMBL28101268 0.86 OPRD1 (0.66) NMUR2NMUR1OPRD1OPRM1KEAP1
SCHEMBL14889478 0.86 OPRD1 (0.66) NMUR2NMUR1OPRD1OPRM1KEAP1
SCHEMBL14889477 0.86 OPRD1 (0.66) NMUR2NMUR1OPRD1OPRM1KEAP1
SCHEMBL31694487 0.85 KEAP1 (0.68) NMUR2NMUR1OPRD1OPRM1KEAP1

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-0839006-A1 PROCESS FOR STABILIZING PROTEINS IN AN ACIDIC ENVIRONMENT WITH A HIGH-ESTER PECTIN DANISCO A/S (DK) 1998-05-06 — — EP disclosed
WO-1997003574-A1 PROCESS FOR STABILIZING PROTEINS IN AN ACIDIC ENVIRONMENT WITH A HIGH-ESTER PECTIN DANISCO A/S (DK) 1997-02-06 — — WO disclosed
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