SCHEMBL7087893

SCHEMBL7087893

CC(CO)(Oc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.57
PPARA Q07869 10/20 0.57
ADORA3 P0DMS8 1/20 0.45
ELANE P08246 1/20 0.45
CYP2C19 P33261 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2C9 P11712 1/20 0.43
PPARD Q03181 1/20 0.43

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
SCHEMBL9417313 0.87 PPARA (0.53) PPARGPPARAADORA3ELANECYP2C19
SCHEMBL1960387 0.86 PPARG (0.62) PPARGPPARAADORA3ELANECYP2C19
SCHEMBL2517199 0.85 PPARG (0.54) PPARGPPARAADORA3ELANECYP2C19
SCHEMBL3975913 0.85 PPARG (0.54) PPARGPPARAADORA3ELANECYP2C19
SCHEMBL3465228 0.85 PPARG (0.58) PPARGPPARAADORA3ELANECYP2C19
SCHEMBL8935937 0.83 PPARG (0.53) PPARGPPARAADORA3ELANECYP2C19
SCHEMBL5322591 0.83 PPARG (0.79) PPARGPPARAPPARD
SCHEMBL82055 0.83 PPARG (0.53) PPARGPPARAADORA3ELANECYP2C19
SCHEMBL11169761 0.82 PPARG (0.55) PPARGPPARAADORA3ELANECYP2C19
SCHEMBL11115586 0.80 PPARG (0.50) PPARGPPARAADORA3ELANECYP2C19

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
WO-2003068806-A1 SOLID PHASE PEPTIDE SYNTHESIS ON SILICA JOHNSON MATTHEY PLC (GB) 2003-08-21 WO claimed
WO-2003068806-A1 SOLID PHASE PEPTIDE SYNTHESIS ON SILICA JOHNSON MATTHEY PLC (GB) 2003-08-21 WO disclosed