SCHEMBL7102456

SCHEMBL7102456

NC(=O)CCC(O)(C(N)=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
SCN5A Q14524 3/20 0.43
SCN9A Q15858 3/20 0.43
HTT P42858 1/20 0.43
KCNN4 O15554 6/20 0.42
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
KCNH2 Q12809 1/20 0.41
KIF11 P52732 4/20 0.40
KDM4E B2RXH2 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40

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
SCHEMBL19205720 0.81 SCN5A (0.54) MAPTKMT2ASCN5ASCN9AHTT
SCHEMBL4153935 0.81 CHRM3 (0.55) MAPTKMT2AHTTKCNN4LMNA
SCHEMBL13865463 0.80 KIF11 (0.55) MAPTKMT2AHTTKIF11
SCHEMBL16964228 0.80 MAPT (0.50) MAPTKMT2ASCN5ASCN9AHTT
SCHEMBL29730901 0.79 MAPT (0.46) MAPTKMT2AHTTKCNN4LMNA
Hydrochloric Acid SCHEMBL27310710 0.79 MAPT (0.41) MAPTKMT2AHTTKCNN4CYP2D6
SCHEMBL6264368 0.78 SCN5A (0.62) MAPTKMT2ASCN5ASCN9AHTT
SCHEMBL3994296 0.78 MAPT (0.57) MAPTKMT2ASCN5ASCN9AHTT
SCHEMBL2095353 0.77 CYP3A4 (0.53) MAPTKMT2AHTTKCNN4LMNA
SCHEMBL6673818 0.77 MAPT (0.43) MAPTKMT2AHTTKCNN4LMNA

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
EP-1278912-A2 HYDROXY-PHENOXYETHER POLYMERS IN PAPERMAKING Advanced Plastics Technologies, Ltd (GB) 2003-01-29 EP disclosed
WO-2001046523-A2 HYDROXY-PHENOXYETHER POLYMERS IN PAPERMAKING ADVANCED PLASTICS TECHNOLOGIES, LTD. (GB) 2001-06-28 WO disclosed