SCHEMBL4354328

SCHEMBL4354328

O=C(O)C=Cc1ccc(OCc2cccc(Oc3ccccc3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.52
CYSLTR2 Q9NS75 4/20 0.49
CYSLTR1 Q9Y271 4/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49
KCNH2 Q12809 1/20 0.49
RHOA P61586 1/20 0.48
GSK3B P49841 2/20 0.48
BACE1 P56817 2/20 0.48
FFAR1 O14842 1/20 0.46
PDE5A O76074 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43

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
SCHEMBL4354327 1.00 SRD5A2 (0.52) SRD5A2CYSLTR2CYSLTR1KDM4EALDH1A1
SCHEMBL2893402 0.87 CA12 (0.49) CYSLTR2CYSLTR1ALDH1A1KCNH2GSK3B
SCHEMBL2893403 0.87 CA12 (0.49) CYSLTR2CYSLTR1ALDH1A1KCNH2GSK3B
SCHEMBL7742884 0.80 KDM4E (0.65) SRD5A2CYSLTR2CYSLTR1KDM4EALDH1A1
SCHEMBL7742881 0.80 KDM4E (0.65) SRD5A2CYSLTR2CYSLTR1KDM4EALDH1A1
SCHEMBL14021653 0.78 CYSLTR2 (0.62) CYSLTR2CYSLTR1KCNH2FFAR1
SCHEMBL2894245 0.77 KCNH2 (0.60) CYSLTR2CYSLTR1KCNH2PDE5AMRGPRX4
SCHEMBL4509884 0.76 PPARA (0.65) SRD5A2GSK3BBACE1FFAR1
SCHEMBL4509890 0.76 PPARA (0.65) SRD5A2GSK3BBACE1FFAR1
SCHEMBL1006525 0.76 SRD5A2 (0.84) SRD5A2ALDH1A1PKMFFAR1

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-2098517-A1 NOVEL PHENYL-ISOXAZOL-3-OL DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-09 EP disclosed