SCHEMBL28545861

SCHEMBL28545861

COc1cc(OC)c2c(c1)OC(c1ccccc1)C(O)C2=O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.78
▸ KDM4E B2RXH2 4/20 0.59
▸ CYP3A4 P08684 4/20 0.59
▸ ABCG2 Q9UNQ0 2/20 0.59
▸ HPGD P15428 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ ABCB1 P08183 7/20 0.53
▸ XDH P47989 2/20 0.52
▸ CYP2C19 P33261 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ RELA Q04206 1/20 0.51

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
SCHEMBL17179811 0.88 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDABCB1XDH
SCHEMBL17485808 0.87 XDH (0.62) ALDH1A1KDM4ECYP3A4ABCG2HPGD
SCHEMBL6565198 0.87 ALDH1A1 (0.60) ALDH1A1KDM4ECYP3A4HPGDMAPK1
SCHEMBL16942322 0.86 ALDH1A1 (0.76) ALDH1A1ABCB1XDH
SCHEMBL21588102 0.85 ALDH1A1 (0.71) ALDH1A1ABCB1XDH
SCHEMBL23743756 0.84 ALDH1A1 (0.73) ALDH1A1ABCB1XDH
SCHEMBL29101712 0.84 ALDH1A1 (0.69) ALDH1A1KDM4ECYP3A4ABCG2HPGD
SCHEMBL29169330 0.83 ALDH1A1 (0.63) ALDH1A1KDM4ECYP3A4ABCG2HPGD
SCHEMBL31190926 0.80 CBS (0.67) ALDH1A1KDM4ECYP3A4HPGDMAPK1
SCHEMBL28684198 0.80 CBS (0.67) ALDH1A1KDM4ECYP3A4HPGDMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111925427-B Application of rice OsT5H gene as negative regulatory factor in promoting rice thrombosis 浙江大学 2022-01-25 — — CN disclosed
CN-111925427-A Application of rice OsT5H gene as negative regulatory factor in promoting rice thrombosis 浙江大学 2020-11-13 — — CN disclosed
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