SCHEMBL9826450

SCHEMBL9826450

C=CCNC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 2/20 0.55
▸ KLK5 Q9Y337 2/20 0.55
▸ MAPT P10636 1/20 0.55
▸ SIRT5 Q9NXA8 1/20 0.55
▸ SIRT2 Q8IXJ6 7/20 0.54
▸ SIRT1 Q96EB6 5/20 0.54
▸ SIRT3 Q9NTG7 3/20 0.54
▸ TGM2 P21980 1/20 0.54
▸ CTSL P07711 1/20 0.52
▸ CTSS P25774 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
SCHEMBL30902797 0.89 MAPT (0.62) KLK7KLK5MAPTSIRT5SIRT2
SCHEMBL12148814 0.89 MAPT (0.62) KLK7KLK5MAPTSIRT2SIRT1
SCHEMBL13599690 0.87 MAPT (0.58) KLK7KLK5MAPTSIRT5SIRT2
SCHEMBL30902907 0.87 MAPT (0.65) KLK7KLK5MAPTSIRT2SIRT1
SCHEMBL19851505 0.87 SIRT2 (0.67) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL5329057 0.86 MAPT (0.59) KLK7KLK5MAPTSIRT5SIRT2
SCHEMBL17039826 0.86 FOLH1 (0.60) KLK7KLK5MAPTSIRT5SIRT2
SCHEMBL5329053 0.86 MAPT (0.59) KLK7KLK5MAPTSIRT5SIRT2
SCHEMBL4857149 0.86 MAPT (0.58) KLK7KLK5MAPTSIRT2SIRT1
SCHEMBL2467817 0.86 FOLH1 (0.65) KLK7KLK5MAPTSIRT2SIRT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0237082-B1 3,5-DISUBSTITUTED 4,5-DIHYDROISOXAZOLES AS TRANSGLUTAMINASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1991-05-29 — — EP disclosed
US-4929630-A SKIN DISORDERS, ACNE, 4,5-DIHYDROISOOXAZOLE PEPTIDES SYNTEX (U.S.A.) INC. (US) 1990-05-29 — — US disclosed
US-4912120-A Containing amine and amide substitution SYNTEX (U.S.A.) INC. (US) 1990-03-27 — — US disclosed
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