SCHEMBL3270793

SCHEMBL3270793

COc1ccc(-c2ccc(C(=CCSc3ccc([O])c(C)c3)c3ccc(Cl)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.44
MAPT P10636 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
THRB P10828 1/20 0.38
PIM1 P11309 1/20 0.37
ALPG P10696 1/20 0.36
MAOB P27338 2/20 0.36
POLB P06746 2/20 0.36
MAOA P21397 1/20 0.36
TRPA1 O75762 1/20 0.36

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
SCHEMBL3270787 1.00 PPARD (0.44) PPARDMAPTKMT2AMEN1HPGD
SCHEMBL3280957 0.89 PPARD (0.44) PPARDMAPTKMT2AMEN1HPGD
SCHEMBL3266065 0.89 PPARD (0.57) PPARDMAPTKMT2AMEN1HPGD
SCHEMBL3270795 0.88 PPARD (0.43) PPARDMAPTKMT2AMEN1HPGD
SCHEMBL657911 0.84 PPARD (0.67) PPARD
SCHEMBL657910 0.84 PPARD (0.67) PPARD
SCHEMBL3267251 0.81 PPARD (0.52) PPARDMAPTKMT2AALDH1A1TP53
SCHEMBL3267254 0.81 PPARD (0.52) PPARDMAPTKMT2AALDH1A1TP53
SCHEMBL3266549 0.78 PPARD (0.52) PPARDMAPTKMT2AMEN1TP53
SCHEMBL5959436 0.78 PPARD (0.74) PPARD

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
EP-1558571-B1 NOVEL COMPOUNDS USEFUL IN TREATING PPAR MEDIATED DISEASES HIGH POINT PHARMACEUTICALS LLC (US) 2010-06-02 EP claimed