SCHEMBL14339243

SCHEMBL14339243

CCOC(=O)c1ccc(C(=O)NCC(C)O)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.48
KMT2A Q03164 4/20 0.47
GAA P10253 3/20 0.47
HSD17B10 Q99714 1/20 0.47
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
ABCB1 P08183 1/20 0.43

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
SCHEMBL5059057 0.88 HPGD (0.52) SMPD1KMT2AGAAHSD17B10HPGD
SCHEMBL5858634 0.81 NR1H4 (0.55) SMPD1KMT2AGAAHSD17B10HPGD
SCHEMBL1027959 0.78 SMPD1 (0.43) SMPD1KMT2AGAAHSD17B10HPGD
SCHEMBL37983114 0.77 CA12 (0.62) KMT2AGAAHSD17B10HPGDMEN1
SCHEMBL3045083 0.77 CA12 (0.62) KMT2AGAAHSD17B10HPGDMEN1
SCHEMBL9435244 0.77 CHRNA1 (0.50) SMPD1KMT2AGAAHSD17B10HPGD
SCHEMBL9435248 0.77 CHRNA1 (0.50) SMPD1KMT2AGAAHSD17B10HPGD
SCHEMBL9717443 0.76 GAA (0.77) SMPD1KMT2AGAAHSD17B10HPGD
SCHEMBL3358074 0.75 TSHR (0.53) KMT2AGAAHSD17B10HPGDMEN1
SCHEMBL5135520 0.74 CA12 (0.50) KMT2AGAAHSD17B10NPSR1MEN1

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-1867639-A1 UREA DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2007-12-19 EP disclosed