SCHEMBL2230682

SCHEMBL2230682

O=C(CCCNC(=O)OCCl)Oc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
TDP1 Q9NUW8 1/20 0.49
TAAR1 Q96RJ0 1/20 0.47
HSP90AA1 P07900 2/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL2231742 0.84 TAAR1 (0.43) KMT2ATDP1TAAR1HSP90AA1MAPT
SCHEMBL2230629 0.83 KMT2A (0.45) KMT2ATDP1TAAR1HSP90AA1LMNA
SCHEMBL636142 0.83 TAAR1 (0.42) KMT2ATDP1TAAR1HSP90AA1MAPT
SCHEMBL638109 0.82 KMT2A (0.44) KMT2ATDP1TAAR1HSP90AA1LMNA
SCHEMBL917267 0.82 MEN1 (0.46) KMT2ATAAR1HSP90AA1MAPTALDH1A1
SCHEMBL2231127 0.81 ELANE (0.44) KMT2ATDP1TAAR1HSP90AA1MAPT
SCHEMBL637737 0.81 GAA (0.52) KMT2ATDP1TAAR1MAPTALDH1A1
SCHEMBL2231331 0.80 TAAR1 (0.48) KMT2ATDP1TAAR1HSP90AA1MAPT
SCHEMBL915659 0.80 TAAR1 (0.40) KMT2ATDP1TAAR1HSP90AA1MAPT
SCHEMBL637464 0.80 ELANE (0.43) KMT2ATDP1TAAR1HSP90AA1MAPT

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
EP-2354120-A1 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XenoPort, Inc. (US) 2011-08-10 EP disclosed