SCHEMBL17166015

SCHEMBL17166015

COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1-c1c(O)cc(O)c2c(=O)cc(-c3ccc(C)cc3)oc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.74
KMT2A Q03164 4/20 0.74
MAPT P10636 3/20 0.74
USP2 O75604 2/20 0.74
TP53 P04637 2/20 0.74
KDM4E B2RXH2 1/20 0.74
HPGD P15428 1/20 0.74
ALOX15 P16050 1/20 0.74
HBB P68871 1/20 0.74
HSD17B10 Q99714 1/20 0.74
MMP9 P14780 3/20 0.72
MMP3 P08254 2/20 0.72
PARP1 P09874 6/20 0.71
PARP2 Q9UGN5 6/20 0.71
CYP1B1 Q16678 4/20 0.64
CYP1A1 P04798 3/20 0.64
CYP1A2 P05177 3/20 0.64
ABCC1 P33527 2/20 0.64
IP6K2 Q9UHH9 2/20 0.64
KDM1A O60341 1/20 0.64

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
Bilobetin SCHEMBL13485655 0.94 MMP9 (0.80) MEN1KMT2AMAPTUSP2TP53
Bilobetin SCHEMBL31094029 0.94 MMP9 (0.80) MEN1KMT2AMAPTUSP2TP53
Isoginkgetin SCHEMBL30293900 0.93 MEN1 (0.80) MEN1KMT2AMAPTUSP2TP53
Isoginkgetin SCHEMBL22459983 0.93 MEN1 (0.80) MEN1KMT2AMAPTUSP2TP53
Sciadopitisin SCHEMBL30996894 0.89 MAPT (0.86) MEN1KMT2AMAPTUSP2TP53
Ginkgetin SCHEMBL31303838 0.89 MAPT (0.86) MEN1KMT2AMAPTUSP2TP53
Ginkgetin SCHEMBL888410 0.89 MAPT (0.86) MEN1KMT2AMAPTUSP2TP53
Sciadopitisin SCHEMBL1158050 0.89 MAPT (0.86) MEN1KMT2AMAPTUSP2TP53
Ginkgetin SCHEMBL30612275 0.89 MAPT (0.86) MEN1KMT2AMAPTUSP2TP53
SCHEMBL16888262 0.88 MEN1 (0.76) MEN1KMT2AMAPTUSP2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9155792-B2 RecA inhibitors with antibiotic activity, compositions and methods of use TRUSTEES OF BOSTON UNIVERSITY (US) 2015-10-13 US disclosed