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Sugi Predict / Compounds / SCHEMBL29862209

SCHEMBL29862209

SCHEMBL29862209

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 16/20 0.61
▸ NPBWR1 P48145 2/20 0.56
▸ CTSL P07711 1/20 0.54
▸ CTSH P09668 1/20 0.54
▸ CTSS P25774 1/20 0.54
▸ CTSK P43235 1/20 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
SCHEMBL30615762 0.97 KISS1R (0.61) KISS1RNPBWR1CTSLCTSHCTSS
SCHEMBL30615763 0.97 KISS1R (0.61) KISS1RNPBWR1
SCHEMBL30615758 0.96 KISS1R (0.63) KISS1RNPBWR1
SCHEMBL30615759 0.96 KISS1R (0.61) KISS1RNPBWR1
SCHEMBL29862252 0.96 KISS1R (0.61) KISS1RNPBWR1
SCHEMBL29862113 0.96 KISS1R (0.63) KISS1RNPBWR1
SCHEMBL30615765 0.96 KISS1R (0.57) KISS1RNPBWR1
SCHEMBL29862124 0.95 KISS1R (0.58) KISS1RNPBWR1CTSLCTSHCTSS
SCHEMBL31021142 0.95 KISS1R (0.57) KISS1RNPBWR1
SCHEMBL31021132 0.93 KISS1R (0.57) KISS1RNPBWR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114917139-B Compound acetyl hexapeptide-1, transdermal preparation and application thereof 珀莱雅化妆品股份有限公司 2023-10-13 — — CN claimed
CN-114917139-B Compound acetyl hexapeptide-1, transdermal preparation and application thereof 珀莱雅化妆品股份有限公司 2023-10-13 — — CN disclosed
CN-114917139-B Compound acetyl hexapeptide-1, transdermal preparation and application thereof 珀莱雅化妆品股份有限公司 2023-10-13 — — CN disclosed
CN-114917139-A Composite acetyl hexapeptide-1 and transdermal preparation and application thereof 珀莱雅化妆品股份有限公司 2022-08-19 — — CN disclosed
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