SCHEMBL4133841

SCHEMBL4133841

Cc1ccc(Cl)c(OC(C)(C)C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.49
MAPT P10636 3/20 0.49
CYP1A2 P05177 2/20 0.49
MEN1 O00255 2/20 0.49
CYP2C19 P33261 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
PPARG P37231 6/20 0.46
PPARD Q03181 6/20 0.46
CYP2C9 P11712 3/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.44
FABP2 P12104 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
TTR P02766 1/20 0.42
CYP2C8 P10632 1/20 0.42
CHRM1 P11229 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL3599895 0.83 CYP2C9 (0.59) PPARAMAPTCYP1A2MEN1CYP2C19
SCHEMBL5157805 0.82 PPARA (0.50) PPARAMAPTCYP1A2MEN1CYP2C19
SCHEMBL23849504 0.82 PPARA (0.47) PPARAMAPTCYP1A2MEN1CYP2C19
SCHEMBL9034965 0.81 FBP1 (0.61) PPARAMAPTCYP1A2MEN1CYP2C19
SCHEMBL13180019 0.80 CYP2C9 (0.45) PPARAMAPTCYP1A2MEN1CYP2C19
SCHEMBL16348228 0.80 ACHE (0.55) PPARAMAPTCYP1A2MEN1CYP2C19
SCHEMBL14934285 0.79 PPARA (0.53) PPARAMAPTCYP1A2MEN1CYP2C19
SCHEMBL10432851 0.79 CYP2C9 (0.43) PPARAMAPTCYP1A2MEN1CYP2C19
SCHEMBL581884 0.78 PPARA (0.59) PPARAMAPTCYP1A2MEN1CYP2C19
SCHEMBL1305941 0.78 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2TDP1L3MBTL1

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
WO-2009005672-A1 ANTIDIABETIC AZAINDOLES AND DIAZAINDOLES MERCK & CO., INC. (US) 2009-01-08 WO disclosed