SCHEMBL365176

SCHEMBL365176

COc1cc(C(=O)O)cn2c1c(C(=O)O)c1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 5/20 0.45
PLA2G4A P47712 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
TPMT P51580 1/20 0.42
TTR P02766 1/20 0.42
RORC P51449 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL366559 0.94 ATM (0.47) ATMPLA2G4AL3MBTL1KDM4EMAPT
SCHEMBL367750 0.91 ATM (0.43) ATMPLA2G4AL3MBTL1KDM4EMAPT
SCHEMBL365273 0.91 PLA2G4A (0.45) ATMPLA2G4AL3MBTL1KDM4EMAPT
SCHEMBL366034 0.89 ATM (0.41) ATMPLA2G4AL3MBTL1KDM4EMAPT
SCHEMBL366077 0.87 ATM (0.45) ATML3MBTL1KDM4EMAPTMEN1
SCHEMBL367766 0.83 L3MBTL1 (0.43) PLA2G4AL3MBTL1MAPTKMT2ANPSR1
SCHEMBL365021 0.82 SMN1; SMN2 (0.42) ATMPLA2G4AL3MBTL1MAPTKMT2A
SCHEMBL366020 0.81 STS (0.41) ATML3MBTL1KDM4EMAPTMEN1
SCHEMBL366821 0.81 AGTR1 (0.41) L3MBTL1KDM4EMAPTMEN1KMT2A
SCHEMBL367734 0.80 ATM (0.40) ATML3MBTL1KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed