SCHEMBL4036305

SCHEMBL4036305

Cc1ccc(-c2ccc(OC(C)(C)C(=O)O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 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 8/20 0.59
TSHR P16473 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
POLB P06746 1/20 0.58
PPARD Q03181 4/20 0.55
CYP2C9 P11712 2/20 0.55
FABP2 P12104 1/20 0.54
SLC22A12 Q96S37 1/20 0.54
LMNA P02545 2/20 0.50
BLM P54132 1/20 0.50
PDE5A O76074 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
SCHEMBL1045831 0.94 PPARA (0.69) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL4033102 0.89 PPARA (0.62) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL9416379 0.87 PPARA (0.65) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL4033955 0.84 MAP4K4 (0.54) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL8264617 0.84 PPARA (0.55) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL6350219 0.84 PPARA (0.89) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL1305108 0.82 PPARA (0.54) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL11545612 0.80 PPARA (0.71) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL3485018 0.80 PPARA (0.69) PPARACYP1A2CYP3A4PPARGTSHR
SCHEMBL4033331 0.80 PPARA (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 3 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
WO-2008012470-A2 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATION AND USES GENFIT (FR) 2008-01-31 WO disclosed