SCHEMBL8771958

SCHEMBL8771958

CC(C)[C@@H](C(N)=O)N(C(=S)Sc1ccccc1)C(C)COc1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.42
MMP3 P08254 2/20 0.41
MAOB P27338 2/20 0.37
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
ADAMTS4 O75173 1/20 0.34
MMP13 P45452 1/20 0.34
KCNA5 P22460 1/20 0.33
MAPT P10636 1/20 0.33
ALOX5 P09917 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ABCB1 P08183 1/20 0.33
ABCB11 O95342 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL8771861 0.84 MMP2 (0.43) MMP2MMP3MAOBALDH1A1HPGD
SCHEMBL8771901 0.84 MMP2 (0.45) MMP2MMP3MAOBALDH1A1HPGD
SCHEMBL8771767 0.77 MMP2 (0.44) MMP2MMP3MAOBALDH1A1HPGD
SCHEMBL8771846 0.76 MMP2 (0.41) MMP2MMP3MAOBALDH1A1HPGD
SCHEMBL8771919 0.76 MMP2 (0.45) MMP2MMP3MAOBALDH1A1HPGD
SCHEMBL8771794 0.75 MMP2 (0.43) MMP2MMP3MAOBALDH1A1HPGD
SCHEMBL8771765 0.75 MMP2 (0.43) MMP2MMP3MAOBALDH1A1HPGD
SCHEMBL8771816 0.75 MMP2 (0.44) MMP2MMP3MAOBALDH1A1HPGD
SCHEMBL8772015 0.75 MMP2 (0.44) MMP2MMP3MAOBALDH1A1HPGD
SCHEMBL8772045 0.73 MAOB (0.44) MMP2MMP3MAOBALDH1A1HPGD

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