SCHEMBL4326754

SCHEMBL4326754

CC(C)(C)c1ccc(C(=O)Oc2ccc(C(=O)CBr)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.65
TDP1 Q9NUW8 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
PRSS1 P07477 1/20 0.58
ACR P10323 1/20 0.58
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
ALOX15 P16050 1/20 0.55
APEX1 P27695 1/20 0.55
MAPK1 P28482 1/20 0.55
RECQL P46063 1/20 0.55
HSD17B10 Q99714 1/20 0.55
GSK3B P49841 3/20 0.54
THRB P10828 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
PTPN1 P18031 2/20 0.50
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL14062435 0.87 MAPT (0.83) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL2396251 0.87 MAPT (0.83) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL919272 0.85 GSK3B (0.66) MAPTTDP1ALDH1A1LMNAALOX15
SCHEMBL2395069 0.82 MAPT (0.75) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL14062417 0.82 MAPT (0.75) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL14062466 0.82 MAPT (0.75) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL16775315 0.81 MAPT (0.73) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL21266478 0.81 MAPT (0.73) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL4328066 0.81 MAPT (0.73) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL29004336 0.81 MAPT (0.78) MAPTTDP1L3MBTL1PRSS1ACR

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