SCHEMBL27730490

SCHEMBL27730490

O=P(O)(O)Oc1cccc2c1Cc1ccccc1O2.[CaH2].[CaH2]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
INPPL1 O15357 4/20 0.44
INPP5A Q14642 4/20 0.44
INPP5B P32019 2/20 0.44
SRC P12931 5/20 0.42
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
PDE3A Q14432 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FBP1 P09467 1/20 0.39
AKT1 P31749 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
HTR2A P28223 3/20 0.34
HTR1A P08908 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
ACSL1 P33121 1/20 0.33

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
SCHEMBL367878 0.99 MAOA (0.46) MAOAMAOBINPPL1INPP5AINPP5B
SCHEMBL7209204 0.97 MAOA (0.44) MAOAMAOBINPPL1INPP5AINPP5B
SCHEMBL367876 0.87 MAOA (0.48) MAOAMAOBSRCMAPKAPK2ACSL1
SCHEMBL6876165 0.87 MAOA (0.40) MAOAMAOBINPPL1INPP5AINPP5B
SCHEMBL5344044 0.78 MAOA (0.57) MAOAMAOBMAPKAPK2HTR2AACSL1
SCHEMBL2715642 0.78 MAOA (0.48) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL29393991 0.76 INPPL1 (0.49) MAOAINPPL1INPP5AINPP5BSRC
SCHEMBL411459 0.75 MAOA (0.46) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL28671388 0.75 MAOA (0.46) MAOAMAOBKDM4EMAPKAPK2ACSL1
SCHEMBL29934406 0.75 MAOA (0.53) MAOAMAOBMAPKAPK2HTR2A

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
CN-101212958-A Modified release pharmaceutical compositions on the basis of two polymers and processes thereof PANACEA BIOTEC LTD (IN) 2008-07-02 CN disclosed