SCHEMBL5324710

SCHEMBL5324710

CC(c1ccc(OC(C)(C)C(=O)O)cc1)c1cccc(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
ADRB3 P13945 3/20 0.46
PPARG P37231 8/20 0.44
PPARD Q03181 2/20 0.43
CYP2C9 P11712 2/20 0.43
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
FABP2 P12104 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
PTPN7 P35236 1/20 0.40
DUSP3 P51452 1/20 0.40

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
SCHEMBL5327149 0.85 PPARA (0.48) PPARACYP2C19MEN1KMT2ACYP1A2
SCHEMBL2668319 0.78 PPARA (0.54) PPARACYP2C19MEN1KMT2ACYP1A2
SCHEMBL10714994 0.77 PPARA (0.61) PPARACYP2C19MEN1KMT2ACYP1A2
SCHEMBL3482673 0.76 CYP3A4 (0.48) MEN1KMT2ACYP3A4CYP2D6MAPT
SCHEMBL7002896 0.75 ALDH1A1 (0.53) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8413205 0.75 PPARA (0.59) PPARACYP2C19MEN1KMT2ACYP1A2
SCHEMBL12777729 0.75 PPARA (0.68) PPARACYP2C19MEN1KMT2ACYP1A2
SCHEMBL5323680 0.75 FFAR1 (0.51) PPARACYP2C19MEN1KMT2ACYP1A2
SCHEMBL5324713 0.75 PPARA (0.61) PPARAADRB3PPARGPPARD
SCHEMBL787522 0.75 PPARA (0.67) PPARACYP2C19MEN1KMT2ACYP1A2

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-2007141423-A1 PPAR ENHANCING DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC USE THEREOF NEGMA-LERADS (FR) 2007-12-13 WO disclosed