SCHEMBL38650680

SCHEMBL38650680

COc1cc(OC)c2c(=O)c(O)c(-c3ccccc3)oc2c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.83
KDM4E B2RXH2 5/20 0.76
CYP3A4 P08684 5/20 0.76
MAPT P10636 4/20 0.76
LMNA P02545 2/20 0.76
TP53 P04637 2/20 0.76
CASP1 P29466 1/20 0.76
CASP7 P55210 1/20 0.76
ADORA3 P0DMS8 5/20 0.75
MAOA P21397 4/20 0.65
PPARG P37231 2/20 0.65
XDH P47989 2/20 0.63
DPP4 P27487 1/20 0.63
SLC22A2 O15244 1/20 0.62
SLC22A1 O15245 1/20 0.62
ALDH1A1 P00352 4/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61

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
SCHEMBL28536757 1.00 ABCG2 (0.83) ABCG2KDM4ECYP3A4MAPTLMNA
SCHEMBL2629300 0.91 ABCG2 (1.00) ABCG2KDM4ECYP3A4MAPTLMNA
SCHEMBL748580 0.89 ABCG2 (0.86) ABCG2KDM4ECYP3A4MAPTLMNA
Izalpinin SCHEMBL29974286 0.88 MAOA (0.83) ABCG2KDM4ECYP3A4MAPTLMNA
SCHEMBL5133662 0.88 NOX4 (0.73) ABCG2KDM4ECYP3A4MAPTLMNA
Izalpinin SCHEMBL7551775 0.88 MAOA (0.83) ABCG2KDM4ECYP3A4MAPTLMNA
SCHEMBL4147950 0.88 ABCG2 (0.81) ABCG2KDM4ECYP3A4MAPTLMNA
SCHEMBL2629309 0.88 ABCG2 (0.84) ABCG2KDM4ECYP3A4MAPTLMNA
SCHEMBL21275469 0.87 ABCG2 (0.74) ABCG2KDM4ECYP3A4MAPTLMNA
SCHEMBL30002869 0.87 ABCG2 (0.74) ABCG2KDM4ECYP3A4MAPTLMNA

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-122005693-A Application of Jiaweidanzhi Xiaoyao powder or extract thereof in preparation of medicines for treating depression complicated with ulcerative colitis 河南中医药大学 2026-05-12 CN claimed
CN-122005693-A Application of Jiaweidanzhi Xiaoyao powder or extract thereof in preparation of medicines for treating depression complicated with ulcerative colitis 河南中医药大学 2026-05-12 CN disclosed