SCHEMBL5323680

SCHEMBL5323680

CC(C)(Oc1ccc(C#Cc2cccc(N)c2)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.51
PPARA Q07869 8/20 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 10/20 0.46
PPARD Q03181 2/20 0.44
CYP2C9 P11712 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
SLC22A12 Q96S37 2/20 0.43
FABP2 P12104 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
SCHEMBL5325861 0.86 PPARA (0.56) PPARACYP2C19MEN1KMT2ACYP1A2
SCHEMBL2668319 0.79 PPARA (0.54) PPARACYP2C19MEN1KMT2ACYP1A2
SCHEMBL5324713 0.76 PPARA (0.61) PPARAPPARGPPARD
SCHEMBL787522 0.76 PPARA (0.67) PPARACYP2C19MEN1KMT2ACYP1A2
SCHEMBL5324710 0.75 PPARA (0.47) PPARACYP2C19MEN1KMT2ACYP1A2
SCHEMBL17469614 0.75 APP (0.67) FFAR1CYP3A4MAPTALDH1A1KCNH2
SCHEMBL9611202 0.73 FFAR1 (0.59) FFAR1CYP2C19MEN1KMT2ACYP1A2
SCHEMBL5331645 0.72 FFAR1 (0.50) FFAR1CYP3A4MAPTMAP4K4
SCHEMBL27654984 0.72 PPARG (0.70) PPARAPPARGPPARD
SCHEMBL29462452 0.72 MAPT (0.62) FFAR1CYP2C19MEN1KMT2ACYP1A2

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