SCHEMBL28025562

SCHEMBL28025562

COc1cc(OC)c2c(c1)OC(O)C(c1ccccc1)C2O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ ABCG2 Q9UNQ0 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ABCB1 P08183 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ABHD10 Q9NUJ1 1/20 0.39
▸ HIF1A Q16665 1/20 0.38
▸ EIF4A1 P60842 1/20 0.38
▸ PTPN1 P18031 1/20 0.38

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
SCHEMBL24426924 0.72 CYP3A4 (0.40) CYP3A4ALDH1A1KDM4EMAPK1ABCG2
SCHEMBL24180282 0.72 CYP3A4 (0.40) CYP3A4ALDH1A1KDM4EMAPK1ABCG2
SCHEMBL24426978 0.71 CYP3A4 (0.37) CYP3A4ALDH1A1KDM4EMAPK1ABCG2
SCHEMBL24180230 0.71 CYP3A4 (0.37) CYP3A4ALDH1A1KDM4EMAPK1ABCG2
SCHEMBL24180227 0.70 CYP3A4 (0.36) CYP3A4ALDH1A1KDM4EMAPK1ABCG2
SCHEMBL24180209 0.70 CYP3A4 (0.36) CYP3A4ALDH1A1KDM4EMAPK1ABCG2
SCHEMBL28545861 0.70 ALDH1A1 (0.78) CYP3A4ALDH1A1KDM4EMAPK1ABCG2
SCHEMBL6729179 0.70 XDH (0.58) CYP3A4ALDH1A1KDM4EMAPK1ABCB1
SCHEMBL27655154 0.70 ALDH1A1 (0.50) CYP3A4ALDH1A1KDM4EMAPK1ABCG2
SCHEMBL11342705 0.70 EDNRA (0.42) CYP3A4MAPK1HPGDMEN1KMT2A

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-105153094-A Suaeda glauca flavone C, preparation method and uses thereof INST BOTANY JIANGSU PROVINCE & CAS 2015-12-16 — — CN claimed
CN-105153094-A Suaeda glauca flavone C, preparation method and uses thereof INST BOTANY JIANGSU PROVINCE & CAS 2015-12-16 — — CN disclosed
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