SCHEMBL4537482

SCHEMBL4537482

C=CC(=O)Oc1cccc2c1Cc1ccccc1O2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.42
MAOA P21397 4/20 0.42
MAOB P27338 4/20 0.42
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
ACSL1 P33121 1/20 0.34
MAPKAPK2 P49137 1/20 0.33
MAP3K7 O43318 3/20 0.32
MAPK1 P28482 3/20 0.32
MAP2K1 Q02750 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL2715642 0.84 MAOA (0.48) MAOAMAOBACSL1MAPKAPK2MAPK1
SCHEMBL411459 0.82 MAOA (0.46) MAOAMAOBACSL1MAPK1KDM4E
SCHEMBL28671388 0.82 MAOA (0.46) MAOAMAOBACSL1MAPKAPK2KDM4E
SCHEMBL28121382 0.81 MAOA (0.42) MAOAMAOBACSL1MAPKAPK2MAPK1
SCHEMBL11775103 0.80 MAOA (0.36) MAOAMAOBKDM4EHPGD
Acetic Acid SCHEMBL1060685 0.80 MAOA (0.43) MAOAMAOBACSL1MAPK1KDM4E
SCHEMBL28327108 0.80 MAOA (0.43) MAOAMAOBACSL1MAPKAPK2KDM4E
SCHEMBL412590 0.80 MAOA (0.43) MAOAMAOBACSL1MAPKAPK2MAPK1
SCHEMBL20136602 0.79 MAOA (0.40) MAOAMAOBACSL1MAPKAPK2MAPT
SCHEMBL1331344 0.79 RAB9A (0.44) TYMSMAOATHRATHRBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104650780-B Adhesive for optical thin film 翰博高新材料(合肥)股份有限公司 2017-02-01 CN disclosed
EP-2802385-A2 METHOD FOR EXTINGUISHING COAL MINE FIRES AND UNIT FOR PERFORMING SAID METHOD S.P.C.M. SA (FR) 2014-11-19 EP disclosed
WO-2012063009-A2 METHOD FOR EXTINGUISHING COAL MINE FIRES AND UNIT FOR PERFORMING SAID METHOD S.P.C.M. SA (FR) 2012-05-18 WO disclosed
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