SCHEMBL5327149

SCHEMBL5327149

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.48
CYP2C19 P33261 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
PPARG P37231 8/20 0.46
PPARD Q03181 3/20 0.44
CYP2C9 P11712 2/20 0.44
ADRB3 P13945 3/20 0.44
KDM4E B2RXH2 2/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
FABP2 P12104 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
PTPN7 P35236 1/20 0.41
DUSP3 P51452 1/20 0.41

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
SCHEMBL5324710 0.85 PPARA (0.47) PPARACYP2C19MEN1KMT2ACYP1A2
SCHEMBL3845579 0.79 PPARG (0.56) PPARACYP2C19MEN1KMT2ACYP1A2
SCHEMBL12777729 0.76 PPARA (0.68) PPARACYP2C19MEN1KMT2ACYP1A2
SCHEMBL3961718 0.75 TYR (0.58) CYP3A4ADRB3KDM4ETSHRALDH1A1
SCHEMBL10714994 0.75 PPARA (0.61) PPARACYP2C19MEN1KMT2ACYP1A2
SCHEMBL5327159 0.74 NPC1 (0.49) PPARAMEN1KMT2AMAPTPPARG
SCHEMBL5327150 0.74 PPARA (0.62) PPARAPPARGPPARDPOLB
SCHEMBL3844599 0.74 PPARA (0.69) PPARACYP2C19MEN1KMT2ACYP1A2
SCHEMBL920857 0.74 ESR1 (0.67) CYP3A4ADRB3KDM4ETSHRALDH1A1
SCHEMBL22227898 0.74 PPARA (0.51) 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