SCHEMBL3266549

SCHEMBL3266549

Cc1cc(SC/C=C(/c2ccc(Br)cc2)c2ccc(-c3cccc(Cl)c3)cc2)ccc1[O]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.52
GRM5 P41594 1/20 0.37
ESR2 Q92731 1/20 0.36
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
SLC6A7 Q99884 1/20 0.33
MEN1 O00255 1/20 0.32
AVPR1A P37288 1/20 0.32
KMT2A Q03164 1/20 0.32
PLAU P00749 1/20 0.32
TAAR1 Q96RJ0 2/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PGR P06401 1/20 0.31
KDM1A O60341 1/20 0.31
FFAR1 O14842 1/20 0.31

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
SCHEMBL3266552 0.89 PPARD (0.50) PPARDGRM5ESR2MMP2MMP9
SCHEMBL3267251 0.86 PPARD (0.52) PPARDKMT2APLAUTP53THRB
SCHEMBL3267254 0.86 PPARD (0.52) PPARDKMT2APLAUTP53THRB
SCHEMBL658722 0.84 PPARD (0.77) PPARD
SCHEMBL658721 0.84 PPARD (0.77) PPARD
SCHEMBL3266065 0.82 PPARD (0.57) PPARDMEN1KMT2ATP53MAPT
SCHEMBL5959602 0.78 PPARD (0.68) PPARD
SCHEMBL3270793 0.78 PPARD (0.44) PPARDMEN1KMT2ATP53THRB
SCHEMBL3270787 0.78 PPARD (0.44) PPARDMEN1KMT2ATP53THRB
SCHEMBL657036 0.77 PPARD (0.66) 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