SCHEMBL13534948

SCHEMBL13534948

CC1(C)C=Cc2cc(C(=O)/C=C/c3ccc4c(c3)OCO4)c(O)cc2O1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.76
▸ PTPN1 P18031 3/20 0.65
▸ AR P10275 1/20 0.56
▸ HPGD P15428 4/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ MAPT P10636 6/20 0.51
▸ RAB9A P51151 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ HTT P42858 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ ABCG2 Q9UNQ0 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ ODC1 P11926 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ ALOX12 P18054 2/20 0.50
▸ HIF1AN Q9NWT6 1/20 0.50

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
4-Hydroxyisolonchocarpin SCHEMBL13535456 0.85 XDH (0.81) XDHPTPN1ARHPGDALDH1A1
SCHEMBL19960677 0.84 XDH (0.80) XDHPTPN1HPGDALDH1A1CYP3A4
SCHEMBL30383083 0.79 PTPN1 (1.00) XDHPTPN1HPGDALDH1A1CYP3A4
SCHEMBL7654646 0.78 AR (0.68) ARHPGDALDH1A1CYP3A4MAPT
SCHEMBL7654653 0.78 AR (0.68) ARHPGDALDH1A1CYP3A4MAPT
SCHEMBL29644903 0.78 KDM4E (0.63) PTPN1HPGDALDH1A1CYP3A4MAPT
SCHEMBL7664544 0.74 MAPT (0.86) ARHPGDALDH1A1CYP3A4MAPT
SCHEMBL7664540 0.74 MAPT (0.86) ARHPGDALDH1A1CYP3A4MAPT
SCHEMBL25241260 0.74 MAPT (0.66) PTPN1ARHPGDALDH1A1CYP3A4
SCHEMBL13905820 0.74 MAPT (0.66) PTPN1ARHPGDALDH1A1CYP3A4

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-2010006189-A2 SMALL-MOLECULE INHIBITORS OF HIF AND ANGIOGENESIS EMORY UNIVERSITY (US) 2010-01-14 — — WO disclosed
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