SCHEMBL10585040

SCHEMBL10585040

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

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.65
▸ CA2 P00918 1/20 0.65
▸ SIRT2 Q8IXJ6 2/20 0.59
▸ SIRT1 Q96EB6 2/20 0.59
▸ SIRT3 Q9NTG7 1/20 0.59
▸ CPB1 P15086 1/20 0.59
▸ CPB2 Q96IY4 1/20 0.59
▸ FOLH1 Q04609 3/20 0.58
▸ ANPEP P15144 1/20 0.54
▸ DPP8 Q6V1X1 1/20 0.53
▸ DPP7 Q9UHL4 1/20 0.53
▸ MMP2 P08253 1/20 0.53
▸ MMP9 P14780 1/20 0.53
▸ HTT P42858 1/20 0.51
▸ SIRT5 Q9NXA8 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
Hydrochloric Acid SCHEMBL7359967 0.99 CA1 (0.64) CA1CA2SIRT2SIRT1SIRT3
Hydrochloric Acid SCHEMBL10745989 0.92 CA1 (0.57) CA1CA2SIRT2SIRT1SIRT3
Hydrochloric Acid SCHEMBL30340169 0.90 SIRT2 (0.60) CA1CA2SIRT2SIRT1CPB1
SCHEMBL26222682 0.90 CA1 (0.61) CA1CA2SIRT2SIRT1SIRT3
SCHEMBL9495193 0.89 CA1 (0.63) CA1CA2SIRT2SIRT1SIRT3
SCHEMBL14157706 0.89 SIRT2 (0.67) CA1CA2SIRT2SIRT1SIRT3
SCHEMBL14157704 0.89 SIRT2 (0.67) CA1CA2SIRT2SIRT1SIRT3
SCHEMBL18907026 0.89 SIRT2 (0.67) CA1CA2SIRT2SIRT1SIRT3
SCHEMBL17435163 0.89 SIRT2 (0.67) CA1CA2SIRT2SIRT1SIRT3
SCHEMBL18348898 0.89 SIRT2 (0.72) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0313969-A2 Tripeptide derivatives and antiplasmin agents containing the same NITTO BOSEKI CO., LTD. (JP) 1989-05-03 — — EP disclosed
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