SCHEMBL8771806

SCHEMBL8771806

CC(C)[C@H](N)C(=O)N(C(=O)OC1CCCCC1Cl)C(C)COc1ccc(C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.41
MMP3 P08254 3/20 0.37
KDM1A O60341 1/20 0.36
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
EPHX1 P07099 1/20 0.34
MAOB P27338 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH3 Q9Y5N1 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGER4 P35408 2/20 0.33
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
MAPT P10636 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

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
SCHEMBL8771780 0.78 MMP2 (0.45) MMP2MMP3KDM1AALDH1A1HPGD
SCHEMBL8772017 0.78 MMP2 (0.46) MMP2MMP3KDM1AALDH1A1HPGD
SCHEMBL8772004 0.76 MMP2 (0.45) MMP2MMP3KDM1AALDH1A1HPGD
SCHEMBL8771801 0.72 MMP2 (0.41) MMP2MMP3ALDH1A1MEN1KMT2A
SCHEMBL9225725 0.71 MMP2 (0.41) MMP2MMP3MEN1KMT2APTGER4
SCHEMBL8771765 0.70 MMP2 (0.43) MMP2MMP3KDM1AALDH1A1HPGD
SCHEMBL8771913 0.70 MMP2 (0.46) MMP2MMP3ALDH1A1HPGDMAOB
SCHEMBL8771761 0.69 MMP2 (0.44) MMP2MMP3KDM1AALDH1A1HPGD
SCHEMBL8771989 0.66 MMP2 (0.45) MMP2MMP3KDM1AALDH1A1HPGD
SCHEMBL8771753 0.65 MMP2 (0.39) MMP2MMP3KDM1AALDH1A1HPGD

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