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Sugi Predict / Compounds / SCHEMBL30844085

SCHEMBL30844085

SCHEMBL30844085

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

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.64
▸ OPRD1 P41143 8/20 0.63
▸ OPRM1 P35372 2/20 0.63
▸ OPRK1 P41145 2/20 0.63
▸ CALCR P30988 2/20 0.58

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
SCHEMBL30567721 0.91 CALCR (0.64) OPRD1OPRM1OPRK1CALCR
SCHEMBL31688352 0.89 OPRD1 (0.60) KEAP1OPRD1OPRM1OPRK1
SCHEMBL30435444 0.89 OPRD1 (0.67) OPRD1OPRM1OPRK1CALCR
SCHEMBL31182993 0.88 OPRM1 (0.65) KEAP1OPRD1OPRM1OPRK1CALCR
SCHEMBL30429255 0.88 CALCR (0.66) OPRD1OPRM1OPRK1CALCR
SCHEMBL30423064 0.88 KEAP1 (0.69) KEAP1OPRD1OPRM1OPRK1CALCR
SCHEMBL30731385 0.88 NMUR2 (0.64) KEAP1CALCR
SCHEMBL30974369 0.88 OPRD1 (0.62) KEAP1OPRD1OPRM1OPRK1CALCR
SCHEMBL30376042 0.88 CALCR (0.60) OPRD1CALCR
SCHEMBL31694487 0.87 KEAP1 (0.68) KEAP1OPRD1OPRM1OPRK1

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
CN-117820469-A anti-Slc 17a2 monoclonal antibody and application thereof 中国人民解放军空军军医大学 2024-04-05 — — CN claimed
CN-117820469-A anti-Slc 17a2 monoclonal antibody and application thereof 中国人民解放军空军军医大学 2024-04-05 — — CN disclosed
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