SCHEMBL7437462

SCHEMBL7437462

O=CCCCC(NC(=O)C(CCS)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.50
CTSS P25774 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
FOLH1 Q04609 1/20 0.47
ACE P12821 1/20 0.47
ECE1 P42892 2/20 0.46
MME P08473 1/20 0.46
SIRT5 Q9NXA8 2/20 0.46

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
SCHEMBL6897898 1.00 CTSL (0.50) CTSLCTSSSIRT2SIRT1FOLH1
SCHEMBL6534751 0.86 ECE1 (0.61) CTSLCTSSSIRT2SIRT1FOLH1
SCHEMBL12528507 0.85 CTSL (0.53) CTSLCTSSSIRT2SIRT1SIRT5
SCHEMBL6534777 0.85 CTRB1 (0.59) CTSLCTSSSIRT2SIRT1FOLH1
SCHEMBL4031333 0.85 CTRB1 (0.59) CTSLCTSSSIRT2SIRT1FOLH1
SCHEMBL4031330 0.85 CTRB1 (0.59) CTSLCTSSSIRT2SIRT1FOLH1
SCHEMBL8921335 0.85 HDAC4 (0.51) CTSLCTSSSIRT2SIRT1ECE1
SCHEMBL8921345 0.85 HDAC4 (0.51) CTSLCTSSSIRT2SIRT1ECE1
SCHEMBL8336670 0.84 CTSL (0.58) CTSLCTSSECE1MME
SCHEMBL29473472 0.84 TACR1 (0.61) CTSLCTSS

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-5627278-A MULTISTAGE REACTION FORMED BY AMIDATION, COUPLING AND REDUCTION BRISTOL-MYERS SQUIBB CO. (US) 1997-05-06 US claimed
US-5627278-A MULTISTAGE REACTION FORMED BY AMIDATION, COUPLING AND REDUCTION BRISTOL-MYERS SQUIBB CO. (US) 1997-05-06 US disclosed
US-5616775-A ESTERIFYING A N-PROTECTED METHIONINE; OXIDIZING; REACTING WITH AN ACID ANHYDRIDE THEN AN ALKALI METAL HYDROXIDE BRISTOL-MYERS SQUIBB CO. (US) 1997-04-01 US disclosed
US-5508272-A SELECTIVE ACE INHIBITORS, HYPOTENSIVE AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1996-04-16 US disclosed
EP-0629627-A2 Bicyclic carboxylic acids and their derivatives as nep and aca inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-12-21 EP disclosed