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Sugi Predict / Compounds / SCHEMBL30903286

SCHEMBL30903286

SCHEMBL30903286

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CN)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 9/20 0.60
▸ OPRM1 P35372 2/20 0.55
▸ OPRD1 P41143 2/20 0.55
▸ OPRK1 P41145 2/20 0.55
▸ CALCRL Q16602 1/20 0.54
▸ CALCR P30988 3/20 0.54

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
SCHEMBL30262231 0.92 KEAP1 (0.60) KEAP1OPRM1OPRD1OPRK1CALCRL
SCHEMBL30903275 0.90 KEAP1 (0.60) KEAP1CALCRL
SCHEMBL30906419 0.88 CALCR (0.65) KEAP1OPRM1OPRD1OPRK1CALCR
SCHEMBL31182783 0.88 CALCR (0.63) CALCR
SCHEMBL30607467 0.88 CALCR (0.64) CALCR
SCHEMBL30560036 0.88 OPRD1 (0.60) OPRM1OPRD1
SCHEMBL29679653 0.88 OPRD1 (0.56) OPRM1OPRD1
SCHEMBL30358154 0.87 CALCR (0.64) OPRM1OPRD1OPRK1CALCR
SCHEMBL30586591 0.87 CALCR (0.58) KEAP1OPRD1CALCR
SCHEMBL29655865 0.87 OPRD1 (0.61) OPRM1OPRD1OPRK1CALCR

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
US-20240148849-A1 IMMUNOGENIC COMPOSITION, USE AND METHODS GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2024-05-09 — — US disclosed
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