SCHEMBL10477455

SCHEMBL10477455

CCc1cc(O)cc(C)c1CC(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.47
PTPN1 P18031 2/20 0.44
PPARA Q07869 6/20 0.43
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
CTSS P25774 5/20 0.42
CTSK P43235 3/20 0.42
PPARG P37231 5/20 0.42
SCN9A Q15858 1/20 0.41
CTSL P07711 2/20 0.41
ITGB1 P05556 1/20 0.41
ITGAV P06756 1/20 0.41
ITGB5 P18084 1/20 0.41
PPARD Q03181 2/20 0.39
CTSB P07858 1/20 0.39

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
SCHEMBL10477452 1.00 ACE (0.47) ACEPTPN1PPARAITGB3ITGA2B
SCHEMBL11370729 0.93 ACE (0.51) ACEPTPN1PPARAITGB3ITGA2B
SCHEMBL10477354 0.93 ACE (0.51) ACEPTPN1PPARAITGB3ITGA2B
SCHEMBL1055585 0.91 ACE (0.52) ACEPTPN1PPARAITGB3ITGA2B
SCHEMBL2263756 0.91 ACE (0.52) ACEPTPN1PPARAITGB3ITGA2B
SCHEMBL10477362 0.84 ACE (0.46) ACEPTPN1PPARAITGB3ITGA2B
SCHEMBL10477361 0.84 ACE (0.46) ACEPTPN1PPARAITGB3ITGA2B
SCHEMBL28483185 0.84 ACE (0.46) ACEPTPN1PPARAITGB3ITGA2B
SCHEMBL8701360 0.83 ACE (0.54) ACEPTPN1PPARAITGB3ITGA2B
SCHEMBL22563312 0.82 KMT2A (0.45) ACEPTPN1PPARAITGB3ITGA2B

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-4879398-A Process for producing 2,6-disubstituted tyrosine MONSANTO COMPANY (US) 1989-11-07 US disclosed