SCHEMBL9306413

SCHEMBL9306413

CCCCCNC(=O)[C@H](CO)NC(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.64
CTSS P25774 1/20 0.64
SIRT2 Q8IXJ6 17/20 0.63
SIRT1 Q96EB6 12/20 0.63
SIRT3 Q9NTG7 11/20 0.63
MEN1 O00255 1/20 0.62
ALDH1A1 P00352 1/20 0.62
HPGD P15428 1/20 0.62
KMT2A Q03164 1/20 0.62
CAPN1 P07384 1/20 0.61
CAPN2 P17655 1/20 0.61

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
SCHEMBL3626824 0.99 SIRT2 (0.65) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL671485 0.99 SIRT2 (0.65) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL16601896 0.89 CTSL (0.67) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL11737428 0.89 CTSL (0.76) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL13870521 0.87 CAPN1 (0.76) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL20542841 0.87 CAPN1 (0.76) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL20543118 0.87 SIRT2 (0.65) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL20543115 0.87 SIRT2 (0.65) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL20542843 0.87 CAPN1 (0.76) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL7798898 0.87 SIRT2 (0.65) CTSLCTSSSIRT2SIRT1SIRT3

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
US-5347007-A Mesylated hydroxymethyl compound treated with alkali metal chloride or quaternary ammonium chloride to form chloromethylamide compound E. R. SQUIBB & SONS, INC. (US) 1994-09-13 US disclosed
US-5281716-A Enzyme inhibitors for anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1994-01-25 US disclosed
EP-0575069-A1 Method for preparing 7-oxabicycloheptyl substituted oxazole amide prostaglandin analog intermediates useful in the preparation of antithrombotic and anti-vasospastic compounds E.R. Squibb & Sons, Inc. (US) 1993-12-22 EP disclosed
US-5260448-A Treating a vinyl bromide containing compound with a metal carbonate cyclizing agent E. R. SQUIBB & SONS, INC. (US) 1993-11-09 US disclosed
US-5260449-A Method for preparing 7-oxabicycloheptyl substituted bromooxazole amide prostaglandin analog intermediates useful in the preparation of anti-thrombotic and anti-vasospastic compounds E. R. SQUIBB & SONS, INC. (US) 1993-11-09 US disclosed