SCHEMBL3280960

SCHEMBL3280960

COc1ccc(-c2ccc(/C(=C\CSc3ccc(O)c(C)c3)c3ccc(F)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.43
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
ALOX12 P18054 2/20 0.39
USP2 O75604 2/20 0.39
ALOX15 P16050 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.37
HSD17B1 P14061 2/20 0.35
HSD17B2 P37059 2/20 0.35
GSK3B P49841 1/20 0.34
ALPG P10696 2/20 0.34
TDP1 Q9NUW8 2/20 0.34

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
SCHEMBL3270795 0.89 PPARD (0.43) PPARDMEN1KMT2AMAPTALOX12
SCHEMBL3266067 0.89 PPARD (0.55) PPARDNPC1RAB9AMEN1KMT2A
SCHEMBL3280957 0.88 PPARD (0.44) PPARDNPC1RAB9AMEN1KMT2A
SCHEMBL657110 0.83 PPARD (0.67) PPARD
SCHEMBL657109 0.83 PPARD (0.67) PPARD
SCHEMBL3267255 0.81 PPARD (0.51) PPARDNPC1RAB9AKMT2AMAPT
SCHEMBL3270793 0.77 PPARD (0.44) PPARDMEN1KMT2AMAPTKDM4E
SCHEMBL3266065 0.77 PPARD (0.57) PPARDNPC1RAB9AMEN1KMT2A
SCHEMBL3270787 0.77 PPARD (0.44) PPARDMEN1KMT2AMAPTKDM4E
SCHEMBL5959436 0.77 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