SCHEMBL2393841

SCHEMBL2393841

Cc1cccc(C)c1OCC(=O)c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
KMT2A Q03164 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MEN1 O00255 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.47
GSK3B P49841 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL2393671 0.85 KMT2A (0.58) MAPTKMT2ANPC1RAB9AMEN1
SCHEMBL2393595 0.84 LMNA (0.51) MAPTKMT2ANPC1RAB9AMEN1
SCHEMBL2395102 0.83 MAPT (0.65) MAPTKMT2ANPC1RAB9AMEN1
SCHEMBL23980850 0.82 MAPT (0.52) MAPTKMT2ANPC1RAB9AMEN1
SCHEMBL2394584 0.79 GAA (0.48) MAPTKMT2ANPC1RAB9AMEN1
SCHEMBL2394591 0.79 GAA (0.48) MAPTKMT2ANPC1RAB9AMEN1
SCHEMBL23980789 0.78 KMT2A (0.43) MAPTKMT2ANPC1RAB9AMEN1
SCHEMBL9220741 0.77 MAPT (0.55) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6202183 0.77 MAPT (0.50) MAPTKMT2ANPC1RAB9AMEN1
SCHEMBL27287038 0.76 MAPT (0.47) MAPTKMT2ANPC1RAB9AMEN1

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
US-8012901-B1 Method of synthesizing enantiopure mexiletine analogues and novel β-thiophenoxy and pyridyl ethers NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-06 US disclosed