SCHEMBL27655154

SCHEMBL27655154

COc1cc(OC)c2c(c1)OC(c1ccccc1)C(=O)C2C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ ABCG2 Q9UNQ0 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ CYP19A1 P11511 3/20 0.41
▸ MAOB P27338 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ NR3C1 P04150 2/20 0.40
▸ MAP2K3 P46734 1/20 0.40

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
SCHEMBL27819314 0.82 KDM4E (0.49) ALDH1A1KDM4EABCG2HPGDMAPK1
SCHEMBL29169330 0.77 ALDH1A1 (0.63) ALDH1A1KDM4EABCG2CYP3A4HPGD
SCHEMBL31091388 0.76 ABCG2 (0.51) ALDH1A1KDM4EABCG2CYP3A4HPGD
SCHEMBL4439742 0.76 ABCG2 (0.51) ALDH1A1KDM4EABCG2CYP3A4HPGD
SCHEMBL27817114 0.75 ABCG2 (0.50) ALDH1A1KDM4EABCG2CYP3A4HPGD
SCHEMBL2879031 0.74 ABCG2 (0.53) ALDH1A1KDM4EABCG2CYP3A4HPGD
SCHEMBL12633180 0.73 ALDH1A1 (0.50) ALDH1A1KDM4EABCG2CYP3A4HPGD
SCHEMBL12633184 0.73 ALDH1A1 (0.50) ALDH1A1KDM4EABCG2CYP3A4HPGD
SCHEMBL12633182 0.73 ALDH1A1 (0.50) ALDH1A1KDM4EABCG2CYP3A4HPGD
SCHEMBL27569936 0.71 MAOB (0.37) ALDH1A1KDM4EABCG2MAPK1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1990482-B Flavanonol compounds and their production method and use ZHEJIANG HISUN PHARM CO LTD 2010-12-08 — — CN disclosed
CN-100384855-C Poly-substituted flavan zothia dizoline kind compound and preparation process and use thereof UNIV ZHEJIANG (CN) 2008-04-30 — — CN disclosed
CN-1793148-A Poly-substituted flavan zothia dizoline kind compound and preparation process and use thereof UNIV ZHEJIANG (CN) 2006-06-28 — — CN disclosed
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