SCHEMBL740779

SCHEMBL740779

CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.56
ATM Q13315 1/20 0.55
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
MMEL1 Q495T6 3/20 0.47
GAA P10253 1/20 0.47
CACNA1B Q00975 1/20 0.47
APP P05067 3/20 0.46
CTSS P25774 6/20 0.46
CTSK P43235 5/20 0.46
FFAR2 O15552 1/20 0.45
ACE P12821 1/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 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
SCHEMBL5966601 1.00 MME (0.56) MMEATMPPARGPPARAMMEL1
SCHEMBL740780 1.00 MME (0.56) MMEATMPPARGPPARAMMEL1
SCHEMBL20415719 0.88 ATM (0.51) MMEATMPPARGPPARAGAA
SCHEMBL28556360 0.88 ATM (0.51) MMEATMPPARGPPARAGAA
SCHEMBL18262538 0.88 ATM (0.49) MMEATMPPARGPPARAMMEL1
SCHEMBL18262540 0.88 ATM (0.49) MMEATMPPARGPPARAMMEL1
SCHEMBL29163523 0.88 ATM (0.56) MMEATMPPARGPPARAAPP
SCHEMBL7897952 0.88 ATM (0.56) ATMPPARGPPARAAPPCTSS
SCHEMBL28132845 0.88 ATM (0.60) MMEATMAPPCTSSCTSK
SCHEMBL1519889 0.88 ATM (0.56) MMEATMPPARGPPARAAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed