SCHEMBL9787769

SCHEMBL9787769

O=c1oc2ccccc2c(=O)c2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.74
KDM4E B2RXH2 6/20 0.74
ALDH1A1 P00352 4/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
GLA P06280 1/20 0.74
CYP3A4 P08684 1/20 0.74
MAPT P10636 1/20 0.74
HPGD P15428 1/20 0.74
PGAM1 P18669 1/20 0.74
CASP1 P29466 1/20 0.74
CASP7 P55210 1/20 0.74
HSD17B10 Q99714 1/20 0.74
GAA P10253 1/20 0.55
NPC1 O15118 4/20 0.53
KMT2A Q03164 3/20 0.53
RAB9A P51151 3/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
THRB P10828 1/20 0.52

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
SCHEMBL304367 0.86 KMT2A (0.62) MAOAKDM4EALDH1A1SMN1; SMN2GLA
SCHEMBL29416517 0.86 KMT2A (0.62) MAOAKDM4EALDH1A1SMN1; SMN2GLA
SCHEMBL29709713 0.86 KMT2A (0.62) MAOAKDM4EALDH1A1SMN1; SMN2GLA
Xanthone SCHEMBL2354794 0.85 MAOA (1.00) MAOAKDM4EALDH1A1SMN1; SMN2GLA
Xanthone SCHEMBL41161 0.85 MAOA (1.00) MAOAKDM4EALDH1A1SMN1; SMN2GLA
Xanthone SCHEMBL29398266 0.85 MAOA (1.00) MAOAKDM4EALDH1A1SMN1; SMN2GLA
Xanthone SCHEMBL29358061 0.85 MAOA (1.00) MAOAKDM4EALDH1A1SMN1; SMN2GLA
Water SCHEMBL28602073 0.84 KMT2A (0.60) MAOAKDM4EALDH1A1SMN1; SMN2GLA
Xanthone SCHEMBL4560050 0.83 MAOA (0.95) MAOAKDM4EALDH1A1SMN1; SMN2GLA
Xanthone SCHEMBL18556112 0.83 MAOA (0.95) MAOAKDM4EALDH1A1SMN1; SMN2GLA

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
US-7374749-B2 Amino substituted hydroxyphenyl benzophenone derivatives CIBA SPECIALTY CHEMICALS CORP. (US) 2008-05-20 US disclosed
US-7374749-B2 Amino substituted hydroxyphenyl benzophenone derivatives CIBA SPECIALTY CHEMICALS CORP. (US) 2008-05-20 US disclosed
US-5057590-A Bislactone curing agents for epoxy resins and polymers obtained therefrom THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1991-10-15 US disclosed