SCHEMBL9500591

SCHEMBL9500591

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

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 9/20 0.54
SIRT1 Q96EB6 7/20 0.53
SIRT3 Q9NTG7 4/20 0.53
CTSL P07711 2/20 0.52
CTSS P25774 1/20 0.52
SIRT5 Q9NXA8 2/20 0.52
FOLH1 Q04609 2/20 0.51
ITGB3 P05106 1/20 0.51
ITGAV P06756 1/20 0.51
TPSAB1 Q15661 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
SCHEMBL3063528 0.93 SIRT2 (0.61) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL631840 0.93 FOLH1 (0.59) SIRT2SIRT1CTSLCTSSSIRT5
SCHEMBL6768020 0.93 FOLH1 (0.59) SIRT2SIRT1CTSLCTSSSIRT5
SCHEMBL5145708 0.93 FOLH1 (0.59) SIRT2SIRT1CTSLCTSSSIRT5
Hydrochloric Acid SCHEMBL10872062 0.92 SIRT2 (0.60) SIRT2SIRT1SIRT3CTSLCTSS
Bromide SCHEMBL9221277 0.92 FOLH1 (0.58) SIRT2SIRT1CTSLCTSSSIRT5
Hydrochloric Acid SCHEMBL333889 0.92 FOLH1 (0.58) SIRT2SIRT1CTSLCTSSSIRT5
Hydrochloric Acid SCHEMBL29401494 0.92 FOLH1 (0.58) SIRT2SIRT1CTSLCTSSSIRT5
Water SCHEMBL7274005 0.92 FOLH1 (0.58) SIRT2SIRT1CTSLCTSSSIRT5
Hydrochloric Acid SCHEMBL333888 0.92 FOLH1 (0.58) SIRT2SIRT1CTSLCTSSSIRT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0333000-B1 PEPTIDES WITH INHIBITORY ACTIVITY OF ENZYMATIC SYSTEMS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZAMBON GROUP S.p.A. (IT) 1993-05-19 EP disclosed
EP-0245981-B1 SIGNAL ENHANCEMENT IN IMMUNOASSAY BY MODULATION OF CHEMICAL CATALYSIS Becton, Dickinson and Company (US) 1991-09-11 EP disclosed
EP-0333000-A2 Peptides with inhibitory activity of enzymatic systems, process for their preparation and pharmaceutical compositions containing them ZAMBON GROUP S.p.A. (IT) 1989-09-20 EP disclosed
US-4810631-A BLOCKED CATALYST INHIBITOR BECTON, DICKINSON AND COMPANY (US) 1989-03-07 US disclosed
EP-0245981-A2 Signal enhancement in immunoassay by modulation of chemical catalysis Becton, Dickinson and Company (US) 1987-11-19 EP disclosed