SCHEMBL28078087

SCHEMBL28078087

O=c1cc(-c2ccccc2)oc2cc(OCc3ccccc3)ccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.67
CYP19A1 P11511 2/20 0.67
TNKS O95271 1/20 0.67
SIGMAR1 Q99720 1/20 0.66
MAPT P10636 2/20 0.65
ABCB1 P08183 2/20 0.65
ABCG2 Q9UNQ0 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.62
ACHE P22303 1/20 0.62
MEN1 O00255 1/20 0.62
LMNA P02545 1/20 0.62
TP53 P04637 1/20 0.62
CYP3A4 P08684 1/20 0.62
KMT2A Q03164 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
TERT O14746 1/20 0.62
KDM4E B2RXH2 1/20 0.62
MAOA P21397 2/20 0.62
CA12 O43570 1/20 0.62
AKR1B10 O60218 1/20 0.62

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
SCHEMBL9140701 0.85 KDM4E (0.74) MAOBCYP19A1TNKSSIGMAR1MAPT
SCHEMBL13592819 0.85 CYP19A1 (0.68) MAOBCYP19A1TNKSSIGMAR1MAPT
SCHEMBL12940261 0.85 CYP19A1 (0.68) MAOBCYP19A1TNKSSIGMAR1MAPT
SCHEMBL4406405 0.85 SIGMAR1 (0.55) MAOBSIGMAR1MAPTABCB1ABCG2
SCHEMBL7933564 0.84 SIGMAR1 (0.73) MAOBCYP19A1TNKSSIGMAR1MAPT
SCHEMBL1483632 0.84 ABCB1 (0.66) MAOBCYP19A1TNKSMAPTABCB1
SCHEMBL14392289 0.83 KDM4E (0.56) MAOBCYP19A1TNKSSIGMAR1MAPT
SCHEMBL13096857 0.83 MAOB (0.53) MAOBCYP19A1TNKSSIGMAR1MAPT
SCHEMBL9199489 0.83 SIGMAR1 (0.72) CYP19A1TNKSSIGMAR1MAPTABCG2
SCHEMBL10025659 0.83 SIGMAR1 (0.76) CYP19A1TNKSSIGMAR1MAPTABCG2

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-104311518-B A kind of preparation method of 6-methyl scutellarin genin 南京中医药大学 2016-07-13 CN claimed
CN-104311518-B A kind of preparation method of 6-methyl scutellarin genin 南京中医药大学 2016-07-13 CN disclosed