SCHEMBL8909286

SCHEMBL8909286

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

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.58
CTSK P43235 6/20 0.56
CTRB1 P17538 2/20 0.55
ELANE P08246 1/20 0.54
CTSS P25774 6/20 0.53
CTSL P07711 5/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.53
CTSB P07858 3/20 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
SCHEMBL8909282 1.00 ATM (0.58) ATMCTSKCTRB1ELANECTSS
SCHEMBL14590979 0.89 ATM (0.57) ATMCTSKCTRB1ELANECTSS
SCHEMBL14704026 0.87 ATM (0.61) ATMCTSKCTRB1ELANECTSS
SCHEMBL6841166 0.87 ATM (0.61) ATMCTSKCTRB1ELANECTSS
SCHEMBL12942877 0.87 ATM (0.61) ATMCTSKCTRB1ELANECTSS
SCHEMBL14590985 0.87 ATM (0.54) ATMCTSKCTRB1ELANECTSS
SCHEMBL9633910 0.86 ATM (0.57) ATMCTSKCTRB1ELANECTSS
SCHEMBL8116800 0.86 CTSL (0.59) ATMCTSKCTRB1ELANECTSS
SCHEMBL25933039 0.86 CTSL (0.59) ATMCTSKCTRB1ELANECTSS
SCHEMBL7305851 0.86 CTSL (0.59) ATMCTSKCTRB1ELANECTSS

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
US-5688946-A DIPEPTIDES FOR HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS HOFFMANN LA ROCHE INC. (US) 1997-11-18 US disclosed
EP-0416373-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-03-13 EP disclosed