SCHEMBL7437830

SCHEMBL7437830

NC(=O)C(Cc1ccccc1)OC(=O)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MEN1 O00255 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.50
MMP8 P22894 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
FKBP1A P62942 1/20 0.48
TP53 P04637 1/20 0.48
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 3/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
PLA2G7 Q13093 1/20 0.43
SRR Q9GZT4 2/20 0.43
EPHX1 P07099 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL7437832 1.00 KMT2A (0.56) KMT2AMEN1NPSR1SMN1; SMN2MMP8
SCHEMBL7287129 0.89 KMT2A (0.58) KMT2AMEN1NPSR1SMN1; SMN2MMP8
SCHEMBL7287136 0.89 KMT2A (0.58) KMT2AMEN1NPSR1SMN1; SMN2MMP8
SCHEMBL7290442 0.85 KMT2A (0.56) KMT2AMEN1NPSR1SMN1; SMN2MMP8
SCHEMBL7326296 0.85 KMT2A (0.67) KMT2AMEN1NPSR1SMN1; SMN2MMP8
SCHEMBL7290435 0.85 KMT2A (0.56) KMT2AMEN1NPSR1SMN1; SMN2MMP8
SCHEMBL9355033 0.85 KMT2A (0.53) KMT2AMEN1NPSR1SMN1; SMN2MMP8
SCHEMBL9355043 0.85 KMT2A (0.53) KMT2AMEN1NPSR1SMN1; SMN2MMP8
SCHEMBL9358799 0.85 KMT2A (0.67) KMT2AMEN1NPSR1SMN1; SMN2MMP8
SCHEMBL9800484 0.82 KMT2A (0.59) KMT2AMEN1NPSR1SMN1; SMN2MMP8

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-0416393-A1 Peptidyl difluorodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed