SCHEMBL4554084

SCHEMBL4554084

Cn1nccc1-c1cc(C(=O)NC(Cc2ccccc2)C(NC(=O)O)C(C)(C)C)c(-c2ccoc2)s1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.36
CTSV O60911 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
HDAC8 Q9BY41 12/20 0.35
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LRRK2 Q5S007 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL16716189 0.86 CTSL (0.37) CTSLCTSVCTSBCTSSHDAC8
SCHEMBL1527186 0.84 ROCK2 (0.40) CTSLCTSVCTSBCTSSHDAC8
SCHEMBL4441518 0.83 KMT2A (0.37) KMT2AALDH1A1PPARD
SCHEMBL1527253 0.82 CTSL (0.35) CTSLCTSVCTSBCTSSHDAC8
SCHEMBL12767734 0.81 ATM (0.39) CTSLCTSVCTSBCTSSKMT2A
SCHEMBL4542245 0.79 AKT1 (0.39) CTSLCTSVCTSBCTSSHDAC8
SCHEMBL4384617 0.78 HDAC8 (0.43) CTSLCTSVCTSBCTSSHDAC8
SCHEMBL4540876 0.77 AKT1 (0.43) CTSLCTSVCTSBCTSSHDAC8
SCHEMBL4554107 0.76 HDAC8 (0.45) CTSLCTSVCTSBCTSSHDAC8
SCHEMBL4542689 0.74 HDAC8 (0.39) CTSLCTSVCTSBCTSSHDAC8

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-2114388-A1 INHIBITORS OF AKT ACTIVITY Smithkline Beecham Corporation (US) 2009-11-11 EP disclosed
WO-2008098105-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-08-14 WO disclosed