SCHEMBL30698071

SCHEMBL30698071

CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C(=O)O

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 2/20 0.80
CTSS P25774 1/20 0.55
CTSK P43235 1/20 0.55
ITGB3 P05106 1/20 0.55
ITGA2B P08514 1/20 0.55
PAM P19021 1/20 0.52
CPA1 P15085 1/20 0.52
CPA2 P48052 1/20 0.52
CPA4 Q9UI42 1/20 0.52
MME P08473 1/20 0.50
CPB2 Q96IY4 1/20 0.49
ERAP2 Q6P179 1/20 0.49
LNPEP Q9UIQ6 1/20 0.49
GRIA1 P42261 1/20 0.49

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
SCHEMBL29550453 0.96 GNPAT (0.78) GNPATCTSSCTSKITGB3ITGA2B
SCHEMBL3801766 0.96 GNPAT (0.78) GNPATCTSSCTSKITGB3ITGA2B
SCHEMBL8933580 0.96 GNPAT (0.78) GNPATCTSSCTSKITGB3ITGA2B
SCHEMBL3801759 0.96 GNPAT (0.78) GNPATCTSSCTSKITGB3ITGA2B
SCHEMBL29368954 0.96 GNPAT (0.78) GNPATCTSSCTSKITGB3ITGA2B
SCHEMBL17192786 0.92 GNPAT (0.69) GNPATCTSSCTSKITGB3ITGA2B
SCHEMBL17192777 0.92 GNPAT (0.68) GNPATCTSSCTSKITGB3ITGA2B
SCHEMBL29692750 0.91 GNPAT (0.67) GNPATCTSSCTSKITGB3ITGA2B
SCHEMBL31181171 0.90 GNPAT (0.69) GNPATCTSSCTSKITGB3ITGA2B
SCHEMBL15862955 0.88 GNPAT (0.67) GNPATCTSSCTSKITGB3ITGA2B

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-112585153-B Compound or salt thereof, and preparation method and application thereof 浙江湃肽生物有限公司 2023-10-13 CN claimed
CN-112585153-B Compound or salt thereof, and preparation method and application thereof 浙江湃肽生物有限公司 2023-10-13 CN disclosed