SCHEMBL9495193

SCHEMBL9495193

COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.63
▸ CA2 P00918 1/20 0.63
▸ SIRT2 Q8IXJ6 5/20 0.57
▸ SIRT1 Q96EB6 4/20 0.57
▸ SIRT3 Q9NTG7 4/20 0.57
▸ FOLH1 Q04609 2/20 0.56
▸ ANPEP P15144 1/20 0.55
▸ CPB1 P15086 1/20 0.55
▸ CPB2 Q96IY4 1/20 0.55
▸ DPP8 Q6V1X1 1/20 0.54
▸ DPP7 Q9UHL4 1/20 0.54
▸ CTSL P07711 1/20 0.52

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
Hydrochloric Acid SCHEMBL9494357 0.99 CA1 (0.62) CA1CA2SIRT2SIRT1SIRT3
SCHEMBL9498688 0.92 FOLH1 (0.67) SIRT2SIRT1FOLH1ANPEPCPB1
SCHEMBL17073781 0.91 CTSL (0.63) CA1CA2SIRT2FOLH1ANPEP
SCHEMBL26222682 0.90 CA1 (0.61) CA1CA2SIRT2SIRT1SIRT3
SCHEMBL10585040 0.89 CA1 (0.65) CA1CA2SIRT2SIRT1SIRT3
Hydrochloric Acid SCHEMBL9319023 0.89 FOLH1 (0.53) CA1CA2FOLH1ANPEPCPB1
Hydrochloric Acid SCHEMBL7359967 0.88 CA1 (0.64) CA1CA2SIRT2SIRT1SIRT3
SCHEMBL17254256 0.88 TDP1 (0.56) CA1CA2CTSL
SCHEMBL18907026 0.87 SIRT2 (0.67) CA1CA2SIRT2SIRT1SIRT3
SCHEMBL14157706 0.87 SIRT2 (0.67) CA1CA2SIRT2SIRT1SIRT3

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
EP-0313969-B1 TRIPEPTIDE DERIVATIVES AND ANTIPLASMIN AGENTS CONTAINING THE SAME NITTO BOSEKI CO., LTD. (JP) 1993-03-24 — — EP disclosed
US-4883863-A FROM LYSINE OR TYROSINE, PHENYLALANINE AND LYSINE, HEMOSTATIC AGENTS NITTO BOSEKI CO., LTD. (JP) 1989-11-28 — — US disclosed
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