SCHEMBL9957508

SCHEMBL9957508

CC(C)(C)OC(=O)N[C@H](Cc1cccc(OC(F)(F)F)c1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.59
▸ FPR2 P25090 1/20 0.55
▸ CTSS P25774 6/20 0.54
▸ CTSK P43235 5/20 0.54
▸ PTPN1 P18031 2/20 0.54
▸ CTSB P07858 4/20 0.53
▸ CTSL P07711 2/20 0.52
▸ ITGB3 P05106 2/20 0.51
▸ ITGA2B P08514 2/20 0.51
▸ PPARA Q07869 2/20 0.49
▸ PPARG P37231 1/20 0.49
▸ ITGB1 P05556 1/20 0.48
▸ ITGAV P06756 1/20 0.48
▸ ITGB5 P18084 1/20 0.48
▸ GPR132 Q9UNW8 1/20 0.46
▸ SCN9A Q15858 1/20 0.46
▸ APP P05067 1/20 0.46

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
SCHEMBL9957511 1.00 ACE (0.59) ACEFPR2CTSSCTSKPTPN1
SCHEMBL31177546 0.88 CTSS (0.51) ACECTSSCTSKPTPN1CTSB
SCHEMBL3554904 0.87 ACE (0.63) ACEFPR2CTSSCTSKPTPN1
SCHEMBL31407807 0.87 ACE (0.63) ACEFPR2CTSSCTSKPTPN1
SCHEMBL3554901 0.87 ACE (0.63) ACEFPR2CTSSCTSKPTPN1
SCHEMBL3821386 0.87 ACE (0.63) ACEFPR2CTSSCTSKPTPN1
SCHEMBL16460072 0.87 CTSS (0.48) ACEFPR2CTSSCTSKPTPN1
SCHEMBL16460071 0.87 CTSS (0.48) ACEFPR2CTSSCTSKPTPN1
SCHEMBL7273147 0.86 ACE (0.65) ACECTSSCTSKPTPN1CTSB
SCHEMBL7273142 0.86 ACE (0.65) ACECTSSCTSKPTPN1CTSB

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-2655322-A1 PROCESS FOR PREPARING CHIRAL AMINO ACIDS Diverchim (FR) 2013-10-30 — — EP disclosed
WO-2012085474-A1 PROCESS FOR PREPARING CHIRAL AMINO ACIDS DIVERCHIM (FR) 2012-06-28 — — WO disclosed
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