SCHEMBL2393595

SCHEMBL2393595

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
MAPK1 P28482 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
KMT2A Q03164 5/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.49
RECQL P46063 1/20 0.49
TP53 P04637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PKM P14618 1/20 0.47
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PTPN1 P18031 1/20 0.44
SCN8A Q9UQD0 1/20 0.44

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) LMNAMAPK1L3MBTL1KMT2AMAPT
SCHEMBL2392538 0.84 MAPT (0.62) LMNAMAPK1L3MBTL1CASP3SENP7
SCHEMBL2393841 0.84 MAPT (0.51) LMNAL3MBTL1KMT2AMAPTMEN1
SCHEMBL2410276 0.79 GAA (0.51) LMNAKMT2AMEN1HSD17B10SMN1; SMN2
SCHEMBL2410280 0.79 GAA (0.51) LMNAKMT2AMEN1HSD17B10SMN1; SMN2
SCHEMBL6327817 0.75 LMNA (0.73) LMNAMAPK1L3MBTL1CASP3SENP7
SCHEMBL11847871 0.75 LMNA (0.64) LMNAMAPK1L3MBTL1CASP3SENP7
SCHEMBL14499026 0.75 KMT2A (0.57) LMNAL3MBTL1KMT2AMAPTMEN1
SCHEMBL10822092 0.75 NPC1 (0.50) LMNAMAPK1L3MBTL1CASP3SENP7
SCHEMBL20491505 0.75 LMNA (0.77) LMNAMAPK1L3MBTL1CASP3SENP7

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