SCHEMBL9956403

SCHEMBL9956403

CC(C)(C)OC(=O)Nc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.63
CTSS P25774 6/20 0.55
CTSK P43235 5/20 0.55
CTSB P07858 4/20 0.55
ITGB3 P05106 4/20 0.55
ITGAV P06756 3/20 0.55
ITGA2B P08514 2/20 0.55
ITGB1 P05556 1/20 0.55
ITGB5 P18084 1/20 0.55
CTSL P07711 2/20 0.54
PPARA Q07869 2/20 0.52
PPARG P37231 1/20 0.52
PTPN1 P18031 1/20 0.52
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.49
FPR2 P25090 1/20 0.49

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
SCHEMBL9956406 1.00 ACE (0.63) ACECTSSCTSKCTSBITGB3
SCHEMBL29145384 0.93 ACE (0.60) ACECTSSCTSKCTSBITGB3
SCHEMBL9955383 0.93 ACE (0.60) ACECTSSCTSKCTSBITGB3
SCHEMBL9955380 0.93 ACE (0.60) ACECTSSCTSKCTSBITGB3
SCHEMBL2366818 0.91 ITGB3 (0.60) ACECTSSCTSKCTSBITGB3
SCHEMBL2367199 0.91 ITGB3 (0.60) ACECTSSCTSKCTSBITGB3
SCHEMBL28680922 0.90 ACE (0.63) ACECTSSCTSKCTSBITGB3
SCHEMBL8422101 0.90 ACE (0.57) ACECTSSCTSKCTSBITGB3
SCHEMBL8422097 0.90 ACE (0.57) ACECTSSCTSKCTSBITGB3
SCHEMBL14349424 0.89 KLK5 (0.57) ACECTSSCTSKCTSBITGB3

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