SCHEMBL4326711

SCHEMBL4326711

CC(=O)c1ccc(OC(=O)c2ccc3ccccc3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
KMT2A Q03164 6/20 0.60
TDP1 Q9NUW8 3/20 0.60
MEN1 O00255 2/20 0.60
POLB P06746 2/20 0.57
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
HPGD P15428 3/20 0.51
ALDH1A1 P00352 2/20 0.51
GLA P06280 1/20 0.51
TSHR P16473 1/20 0.51
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
SIRT5 Q9NXA8 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL24141857 0.92 KMT2A (0.68) MAPTKMT2ATDP1MEN1POLB
SCHEMBL12895866 0.90 MAPT (0.55) MAPTKMT2ATDP1MEN1POLB
SCHEMBL14206802 0.87 NPC1 (0.62) MAPTKMT2ATDP1MEN1POLB
SCHEMBL418527 0.86 MAPT (0.68) MAPTKMT2ATDP1MEN1CES2
SCHEMBL15462343 0.85 MAPT (0.51) MAPTKMT2ATDP1MEN1POLB
SCHEMBL2742859 0.85 KMT2A (0.64) MAPTKMT2ATDP1MEN1POLB
SCHEMBL12268652 0.85 MAPT (0.51) MAPTKMT2ATDP1MEN1POLB
SCHEMBL12268536 0.84 KDM4E (0.58) MAPTKMT2ATDP1MEN1POLB
SCHEMBL12925837 0.84 KMT2A (0.76) MAPTKMT2ATDP1MEN1POLB
SCHEMBL14430924 0.83 KMT2A (0.57) MAPTKMT2AMEN1CES2CES1

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-2009146013-A1 MYOSIN LIGHT CHAIN PHOSPHATASE INHIBITORS GEORGETOWN UNIVERSITY (US) 2009-12-03 WO disclosed
WO-2009146013-A1 MYOSIN LIGHT CHAIN PHOSPHATASE INHIBITORS GEORGETOWN UNIVERSITY (US) 2009-12-03 WO disclosed