SCHEMBL8772015

SCHEMBL8772015

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.44
MMP3 P08254 2/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
MAOB P27338 2/20 0.36
MAPT P10636 1/20 0.35
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
ADAMTS4 O75173 1/20 0.33
MMP13 P45452 1/20 0.33
KDM1A O60341 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33

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
SCHEMBL8772045 0.84 MAOB (0.44) MMP2MMP3CHRNB2CHRNB4CHRNA3
SCHEMBL8771767 0.83 MMP2 (0.44) MMP2MMP3ALDH1A1HPGDMAOB
SCHEMBL8771919 0.82 MMP2 (0.45) MMP2MMP3CHRNB2CHRNB4CHRNA3
SCHEMBL8771901 0.82 MMP2 (0.45) MMP2MMP3ALDH1A1HPGDMAOB
SCHEMBL8771816 0.81 MMP2 (0.44) MMP2MMP3CHRNB2CHRNB4CHRNA3
SCHEMBL8771794 0.80 MMP2 (0.43) MMP2MMP3CHRNB2CHRNB4CHRNA3
SCHEMBL8771765 0.80 MMP2 (0.43) MMP2MMP3ALDH1A1HPGDMAOB
SCHEMBL8771846 0.78 MMP2 (0.41) MMP2MMP3ALDH1A1HPGDMAOB
SCHEMBL8771861 0.76 MMP2 (0.43) MMP2MMP3ALDH1A1HPGDMAOB
SCHEMBL8771753 0.76 MMP2 (0.39) MMP2MMP3ALDH1A1HPGDMAOB

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