SCHEMBL4033102

SCHEMBL4033102

Cc1ccc(Oc2ccc(OC(C)(C)C(=O)O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
MAPT P10636 1/20 0.62
PPARG P37231 10/20 0.59
PPARD Q03181 5/20 0.55
FABP2 P12104 1/20 0.54
SLC22A12 Q96S37 1/20 0.54
TSHR P16473 2/20 0.50
LMNA P02545 2/20 0.50
CYP2C9 P11712 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
BLM P54132 1/20 0.50
MMP13 P45452 1/20 0.47

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
SCHEMBL1045831 0.94 PPARA (0.69) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL11545612 0.92 PPARA (0.71) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL4036305 0.89 PPARA (0.62) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL4040746 0.87 PPARG (0.55) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL22209208 0.87 PPARG (0.74) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL9320807 0.84 PPARA (0.89) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL1305108 0.82 PPARA (0.54) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL3484168 0.81 PPARA (0.46) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL10386440 0.81 PPARA (0.60) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL4036404 0.80 PPARG (0.66) PPARAMEN1KMT2ACYP2C19CYP1A2

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-2049107-A2 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATION AND USES Genfit (FR) 2009-04-22 EP disclosed
WO-2008012470-A2 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATION AND USES GENFIT (FR) 2008-01-31 WO disclosed