SCHEMBL5566175

SCHEMBL5566175

CC(=O)c1cccc2oc3cc(=O)ccc-3nc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 12/20 0.47
MAOB P27338 4/20 0.44
MAOA P21397 2/20 0.44
IDO1 P14902 1/20 0.44
CYP1A2 P05177 2/20 0.41
CA9 Q16790 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CA12 O43570 1/20 0.41
NT5E P21589 1/20 0.41
PDE4D Q08499 2/20 0.39
PTPN1 P18031 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL1104932 0.80 APP (0.58) APPMAOBCYP1A2CA9KDM4E
Acetic Acid SCHEMBL233001 0.75 APP (0.59) APPMAOACYP1A2KDM4E
SCHEMBL6840173 0.73 ELANE (0.44) MAOBMAOAIDO1CYP1A2CA9
SCHEMBL28856792 0.72 MAOB (0.41) MAOBMAOAIDO1CYP1A2CA9
SCHEMBL14680386 0.72 MAOA (0.85) MAOBMAOAIDO1CYP1A2CA9
SCHEMBL8067 0.70 APP (0.65) APPCYP1A2KDM4E
Pivalate SCHEMBL6813805 0.69 APP (0.56) APPCYP1A2KDM4E
SCHEMBL6813575 0.69 APP (0.56) APPMAOACYP1A2KDM4E
Water SCHEMBL1094033 0.69 APP (0.63) APPCYP1A2KDM4E
SCHEMBL1096453 0.69 APP (0.63) APPCYP1A2KDM4E

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-7163815-B2 Methods and compositions for NAD(P)(H) oxidases GEORGIA TECH RESEARCH CORPORATION (US) 2007-01-16 US disclosed
US-20050196788-A1 Methods and compositions for NAD(P)(H) oxidases GEORGIA TECH RESEARCH CORPORATION (US) 2005-09-08 US disclosed
WO-2004011670-A2 METHODS AND COMPOSITIONS FOR NAD(P)(H) OXIDASES GEORGIA TECH RESEARCH CORPORATION (US) 2004-02-05 WO disclosed