SCHEMBL7320626

SCHEMBL7320626

NC(CCC[C@H](NC(=O)OCc1ccccc1)C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.57
FOLH1 Q04609 2/20 0.54
SIRT2 Q8IXJ6 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
CTSS P25774 1/20 0.52
ITGB3 P05106 6/20 0.52
ITGA2B P08514 4/20 0.52
ITGAV P06756 2/20 0.51
PPARA Q07869 3/20 0.50
SLC1A3 P43003 1/20 0.50
SLC1A1 P43005 1/20 0.50
ECE1 P42892 1/20 0.50
IDO1 P14902 1/20 0.50
TDO2 P48775 1/20 0.50
PPARG P37231 1/20 0.49
TGM2 P21980 1/20 0.48

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
SCHEMBL3656725 0.94 CTSL (0.58) CTSLFOLH1SIRT2SIRT1CTSS
SCHEMBL10421088 0.91 FOLH1 (0.62) CTSLFOLH1SIRT2SIRT1CTSS
SCHEMBL4740486 0.90 SIRT2 (0.56) CTSLSIRT2SIRT1CTSS
SCHEMBL7996588 0.90 CTSL (0.57) CTSLFOLH1SIRT2SIRT1CTSS
SCHEMBL10772916 0.90 SIRT2 (0.55) CTSLSIRT2SIRT1CTSSITGB3
Hydrochloric Acid SCHEMBL4740911 0.89 SIRT2 (0.55) CTSLSIRT2SIRT1CTSS
SCHEMBL3937813 0.88 PPARA (0.56) CTSSPPARAPPARG
SCHEMBL29396254 0.88 PPARA (0.56) CTSSPPARAPPARG
SCHEMBL8387978 0.88 FOLH1 (0.65) CTSLFOLH1SIRT2SIRT1CTSS
SCHEMBL10419670 0.87 CTSL (0.69) CTSLFOLH1SIRT2SIRT1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0358398-B1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS Pfizer Limited (GB) 1993-03-10 EP disclosed
EP-0249445-A2 Substituted aminoalkanoylaminoalkyl phosphonate angiotensin converting enzyme inhibitors E.R. Squibb & Sons, Inc. (US) 1987-12-16 EP disclosed