SCHEMBL9955720

SCHEMBL9955720

CC(C)(C)OC(=O)N[C@H](Cc1ccco1)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.73
CTSK P43235 5/20 0.73
ACE P12821 1/20 0.54
PPARA Q07869 6/20 0.49
PPARG P37231 5/20 0.49
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
PPARD Q03181 2/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
IDO1 P14902 1/20 0.46
PTPN1 P18031 1/20 0.44
FOLH1 Q04609 2/20 0.44
SCN9A Q15858 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
SCHEMBL1068894 1.00 CTSS (0.73) CTSSCTSKACEPPARAPPARG
SCHEMBL1068898 1.00 CTSS (0.73) CTSSCTSKACEPPARAPPARG
SCHEMBL16460386 0.85 CTSS (0.64) CTSSCTSKACEPPARAPPARG
SCHEMBL16460387 0.85 CTSS (0.64) CTSSCTSKACEPPARAPPARG
SCHEMBL10094308 0.83 CTSS (0.62) CTSSCTSKACEPPARAPPARG
SCHEMBL18084174 0.83 CTSS (0.62) CTSSCTSKACEPPARAPPARG
SCHEMBL3573493 0.83 CTSS (0.52) CTSSCTSKITGB3FOLH1
SCHEMBL11022657 0.83 CTSS (0.61) CTSSCTSKACECTSLCTSB
SCHEMBL16119123 0.80 FOLH1 (0.49) CTSSCTSKFOLH1
SCHEMBL8308836 0.80 CTSS (0.70) CTSSCTSKACECTSLCTSB

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