SCHEMBL8771884

SCHEMBL8771884

CC(C)OC(=O)N(C(C)CNc1ccc(Cl)cc1)[C@H](C(N)=O)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KLK7 P49862 2/20 0.33
NPY5R Q15761 1/20 0.32
CNR1 P21554 1/20 0.32
HSP90AA1 P07900 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL8771912 0.78 KDM4E (0.42) NPSR1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL8771835 0.74 SCN9A (0.34) MAPTKMT2AMEN1KDM4ECNR1
SCHEMBL8896867 0.68 ALOX5 (0.58) KMT2AMEN1SMN1; SMN2ALDH1A1NPC1
SCHEMBL8771888 0.67 ALDH1A1 (0.36) POLBMAPTKMT2AALDH1A1NPC1
SCHEMBL8771869 0.66 MAPT (0.34) MAPTALDH1A1
SCHEMBL9227651 0.66 MAPT (0.40) POLBNPSR1MAPTKMT2AMEN1
SCHEMBL8771891 0.64 LMNA (0.41) POLBNPSR1MAPTKMT2AMEN1
SCHEMBL10893901 0.63 CNR2 (0.45) NPSR1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL11168145 0.62 GAA (0.44) NPSR1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL8606919 0.62 SLC6A2 (0.50) MAPTKMT2AMEN1SMN1; SMN2NPC1

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-0648740-B1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-10-08 EP disclosed