SCHEMBL7997322

SCHEMBL7997322

COC(=O)C(NCc1ccccc1)C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
MEN1 O00255 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.55
MAPT P10636 2/20 0.55
ATM Q13315 2/20 0.53
TRPM8 Q7Z2W7 1/20 0.52
SIGMAR1 Q99720 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CACNA1C Q13936 1/20 0.45
SCN9A Q15858 1/20 0.45
CA9 Q16790 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
SCHEMBL7997325 0.93 KMT2A (0.55) KMT2AMEN1L3MBTL1MAPTATM
SCHEMBL23058500 0.89 KMT2A (0.51) KMT2AMEN1L3MBTL1MAPTATM
SCHEMBL7851021 0.86 SMN1; SMN2 (0.54) KMT2AMEN1L3MBTL1MAPTALDH1A1
Hydrochloric Acid SCHEMBL10955235 0.84 SMN1; SMN2 (0.53) KMT2AMEN1L3MBTL1MAPTALDH1A1
SCHEMBL106075 0.84 MAPT (0.67) KMT2AMEN1L3MBTL1MAPTATM
SCHEMBL914510 0.84 MAPT (0.67) KMT2AMEN1L3MBTL1MAPTATM
SCHEMBL106076 0.84 MAPT (0.67) KMT2AMEN1L3MBTL1MAPTATM
SCHEMBL11538164 0.82 KMT2A (0.46) KMT2AMEN1L3MBTL1MAPTATM
Hydrochloric Acid SCHEMBL1604707 0.82 MAPT (0.65) KMT2AMEN1L3MBTL1MAPTATM
Hydrochloric Acid SCHEMBL1604706 0.82 MAPT (0.65) KMT2AMEN1L3MBTL1MAPTATM

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-2001014335-A1 PROCESS FOR PREPARATION OF PAROXETIN INTERMEDIATE SMITHKLINE BEECHAM P.L.C. (GB) 2001-03-01 WO disclosed