SCHEMBL30992038

SCHEMBL30992038

CSCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.59
▸ CTSS P25774 3/20 0.59
▸ CTSK P43235 3/20 0.59
▸ CTSH P09668 1/20 0.59
▸ DPP3 Q9NY33 1/20 0.55
▸ KISS1R Q969F8 5/20 0.55
▸ C5AR1 P21730 1/20 0.54
▸ CXCL8 P10145 5/20 0.53
▸ MC4R P32245 1/20 0.53
▸ MC5R P33032 1/20 0.53
▸ MC3R P41968 1/20 0.53
▸ MC1R Q01726 1/20 0.53
▸ IL23R Q5VWK5 1/20 0.52
▸ KEAP1 Q14145 1/20 0.52
▸ CXCR4 P61073 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
SCHEMBL30992035 0.94 CTSL (0.57) CTSLCTSSCTSKCTSHDPP3
SCHEMBL30582469 0.89 CTSL (0.57) CTSLCTSSCTSKCTSHDPP3
SCHEMBL29500468 0.88 C5AR1 (0.59) CTSLCTSSCTSKCTSHDPP3
Elatipepimut-S SCHEMBL29966863 0.87 KISS1R (0.66) CTSLCTSSCTSKCTSHKISS1R
SCHEMBL30288110 0.86 KISS1R (0.61) DPP3KISS1RC5AR1CXCR4
SCHEMBL29554568 0.86 C5AR1 (0.60) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL29555003 0.86 C5AR1 (0.60) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL31046793 0.86 C5AR1 (0.61) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL29476405 0.86 KISS1R (0.55) CTSLCTSSCTSKCTSHDPP3
SCHEMBL29476509 0.86 KISS1R (0.55) CTSLCTSSCTSKCTSHDPP3

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-118290524-A Polypeptide for improving skin injury or aging and application thereof 赵树民 2024-07-05 — — CN disclosed
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