SCHEMBL740615

SCHEMBL740615

CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.49
▸ CTSL P07711 1/20 0.44
▸ FFAR1 O14842 6/20 0.44
▸ MMEL1 Q495T6 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ AAK1 Q2M2I8 1/20 0.43
▸ ITGB1 P05556 1/20 0.42
▸ ITGA4 P13612 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ MME P08473 1/20 0.42
▸ FDFT1 P37268 1/20 0.41
▸ APP P05067 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ TACR1 P25103 1/20 0.41

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
SCHEMBL740616 1.00 ATM (0.49) ATMCTSLFFAR1MMEL1TSHR
SCHEMBL1519890 1.00 ATM (0.49) ATMCTSLFFAR1MMEL1TSHR
SCHEMBL2550398 0.88 ATM (0.48) ATMCTSLTSHRAAK1CTSB
SCHEMBL2550395 0.88 ATM (0.48) ATMCTSLTSHRAAK1CTSB
SCHEMBL5757675 0.86 ATM (0.47) ATMCTSLTSHRAAK1CTSB
SCHEMBL740780 0.86 MME (0.56) ATMCTSLMMEL1CTSBCTSS
SCHEMBL5966601 0.86 MME (0.56) ATMCTSLMMEL1CTSBCTSS
SCHEMBL740779 0.86 MME (0.56) ATMCTSLMMEL1CTSBCTSS
SCHEMBL742227 0.84 CTSL (0.62) ATMCTSLMMEL1CTSBCTSS
SCHEMBL742226 0.84 CTSL (0.62) ATMCTSLMMEL1CTSBCTSS

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