SCHEMBL9347526

SCHEMBL9347526

CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.54
▸ CTSS P25774 3/20 0.54
▸ CTSK P43235 3/20 0.54
▸ CTSH P09668 1/20 0.54
▸ IL23R Q5VWK5 4/20 0.52
▸ GLP1R P43220 3/20 0.52
▸ CCKBR P32239 4/20 0.52
▸ MC4R P32245 1/20 0.52
▸ MC5R P33032 1/20 0.52
▸ MC3R P41968 1/20 0.52
▸ MC1R Q01726 1/20 0.52
▸ KISS1R Q969F8 1/20 0.52
▸ CCKAR P32238 1/20 0.50
▸ KEAP1 Q14145 1/20 0.50
▸ C5AR1 P21730 1/20 0.50

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
SCHEMBL29973199 0.94 CTSL (0.54) CTSLCTSSCTSKCTSHIL23R
SCHEMBL16455227 0.91 CTSL (0.55) CTSLCTSSCTSKCTSHIL23R
SCHEMBL29973495 0.88 CTSL (0.56) CTSLCTSSCTSKCTSHIL23R
SCHEMBL30037155 0.83 IL23R (0.62) IL23RGLP1RCCKBRCCKARKEAP1
SCHEMBL29410268 0.83 IL23R (0.62) IL23RGLP1RCCKBRCCKARKEAP1
SCHEMBL29389186 0.83 IL23R (0.62) IL23RGLP1RCCKBRCCKARKEAP1
SCHEMBL10419744 0.83 C5AR1 (0.51) CTSLCTSSCTSKCTSHGLP1R
SCHEMBL29641069 0.82 IL23R (0.58) CTSLCTSSCTSKCTSHIL23R
SCHEMBL31501133 0.81 C5AR1 (0.53) CTSLCTSSCTSKCTSHGLP1R
SCHEMBL18388638 0.81 C5AR1 (0.74) CTSLCTSSCTSKCTSHGLP1R

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-5362852-A Generation of aldehyde by oxidation, reacting with reagent containing functionally active group PFIZER INC. (US) 1994-11-08 — — US disclosed
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