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Sugi Predict / Compounds / SCHEMBL31683752

SCHEMBL31683752

SCHEMBL31683752

CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 3/20 0.56
▸ OPRM1 P35372 2/20 0.55
▸ OPRD1 P41143 2/20 0.55
▸ OPRK1 P41145 2/20 0.55
▸ CALCRL Q16602 2/20 0.54
▸ CALCR P30988 3/20 0.52
▸ TFPI P10646 2/20 0.52
▸ IL23R Q5VWK5 1/20 0.51

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
SCHEMBL30560036 0.89 OPRD1 (0.60) OPRM1OPRD1
SCHEMBL29658853 0.88 CALCRL (0.59) OPRD1CALCRLIL23R
SCHEMBL31688352 0.88 OPRD1 (0.60) KEAP1OPRM1OPRD1OPRK1
SCHEMBL31745620 0.88 KDM1A (0.58) KEAP1TFPI
SCHEMBL30607393 0.87 CALCRL (0.59) KEAP1OPRM1OPRD1OPRK1CALCRL
SCHEMBL31745538 0.87 KEAP1 (0.57) KEAP1CALCRLCALCRTFPI
SCHEMBL31688332 0.86 OPRM1 (0.61) KEAP1OPRM1OPRD1OPRK1CALCR
SCHEMBL31683251 0.86 OPRD1 (0.60) KEAP1OPRM1OPRD1OPRK1CALCR
SCHEMBL29438379 0.85 NPY2R (0.58) CALCRTFPI
SCHEMBL29352561 0.85 KEAP1 (0.64) KEAP1OPRM1OPRD1OPRK1

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
CN-120623280-A Bone destruction resistant bioactive polypeptide targeting osteoclast membrane surface receptor and application thereof 广西师范大学 2025-09-12 — — CN disclosed