SCHEMBL13636738

SCHEMBL13636738

COC(=O)C[C@@H](CCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.56
CTSS P25774 3/20 0.56
CTSG P08311 1/20 0.54
CTRB1 P17538 1/20 0.54
ATM Q13315 1/20 0.54
SYK P43405 1/20 0.48
KLK5 Q9Y337 2/20 0.47
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
PPARA Q07869 2/20 0.46
REN P00797 2/20 0.46
PPARG P37231 1/20 0.46
APP P05067 2/20 0.45
ACE P12821 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL3493706 0.90 CTSK (0.58) CTSKCTSSCTSGCTRB1ATM
SCHEMBL825574 0.90 CTSK (0.58) CTSKCTSSCTSGCTRB1ATM
SCHEMBL7239876 0.87 ATM (0.67) CTSKCTSSATMSYKKLK5
SCHEMBL13770955 0.87 ATM (0.67) CTSKCTSSATMSYKKLK5
SCHEMBL6896458 0.87 ATM (0.67) CTSKCTSSATMSYKKLK5
SCHEMBL7696221 0.85 CTSK (0.59) CTSKCTSSCTSGCTRB1ATM
SCHEMBL14338698 0.85 CTSK (0.59) CTSKCTSSCTSGCTRB1ATM
SCHEMBL3842588 0.85 CTSK (0.59) CTSKCTSSCTSGCTRB1ATM
SCHEMBL8607451 0.84 SYK (0.55) CTSKCTSSCTRB1ATMSYK
SCHEMBL5477129 0.84 S1PR2 (0.45) CTSKCTSSREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0931060-B1 SUBSTITUTED N- (AMINOIMINOMETHYL OR AMINOMETHYL)PHENYL PROPYL AMIDES AVENTIS PHARMA INC (US) 2009-11-25 EP disclosed