SCHEMBL10477362

SCHEMBL10477362

Cc1cc(O)cc(C(F)(F)F)c1CC(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.46
PTPN1 P18031 2/20 0.43
CTSS P25774 5/20 0.42
PPARA Q07869 7/20 0.42
PPARG P37231 6/20 0.42
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
CTSK P43235 3/20 0.41
ITGB1 P05556 1/20 0.39
ITGAV P06756 1/20 0.39
ITGB5 P18084 1/20 0.39
PPARD Q03181 2/20 0.38
SCN9A Q15858 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL10477361 1.00 ACE (0.46) ACEPTPN1CTSSPPARAPPARG
SCHEMBL2263756 0.89 ACE (0.52) ACEPTPN1CTSSPPARAPPARG
SCHEMBL1055585 0.89 ACE (0.52) ACEPTPN1CTSSPPARAPPARG
SCHEMBL10477455 0.84 ACE (0.47) ACEPTPN1CTSSPPARAPPARG
SCHEMBL10477452 0.84 ACE (0.47) ACEPTPN1CTSSPPARAPPARG
SCHEMBL28483185 0.82 ACE (0.46) ACEPTPN1CTSSPPARAPPARG
SCHEMBL22563312 0.81 KMT2A (0.45) ACEPTPN1CTSSPPARAPPARG
SCHEMBL2890189 0.80 ACE (0.53) ACEPTPN1CTSSPPARAPPARG
SCHEMBL10604860 0.80 ACE (0.53) ACEPTPN1CTSSPPARAPPARG
SCHEMBL12294697 0.79 CTSS (0.44) ACECTSSPPARAPPARGCTSK

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