SCHEMBL8771846

SCHEMBL8771846

COc1cccc(OC(=O)N(C(C)COc2ccc(C#N)cc2)[C@H](C(N)=O)C(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.41
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
RAB9A P51151 1/20 0.38
MMP3 P08254 1/20 0.38
MCHR1 Q99705 1/20 0.35
PARP1 P09874 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
MAOB P27338 2/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TRPM8 Q7Z2W7 2/20 0.34
PLAU P00749 1/20 0.34

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
SCHEMBL8771901 0.89 MMP2 (0.45) MMP2MTNR1AMTNR1BMMP3MAOB
SCHEMBL8771794 0.86 MMP2 (0.43) MMP2MMP3MAOBALDH1A1HPGD
SCHEMBL8771767 0.84 MMP2 (0.44) MMP2MMP3MAOBALDH1A1HPGD
SCHEMBL8771816 0.80 MMP2 (0.44) MMP2RAB9AMMP3MAOBALDH1A1
SCHEMBL8771861 0.79 MMP2 (0.43) MMP2MTNR1AMTNR1BMMP3MAOB
SCHEMBL8771919 0.79 MMP2 (0.45) MMP2RAB9AMMP3MAOBALDH1A1
SCHEMBL8772015 0.78 MMP2 (0.44) MMP2MMP3MAOBALDH1A1HPGD
SCHEMBL8771765 0.77 MMP2 (0.43) MMP2MMP3MAOBALDH1A1HPGD
SCHEMBL8772045 0.77 MAOB (0.44) MMP2RAB9AMMP3TSHRMAPK1
SCHEMBL8771958 0.76 MMP2 (0.42) MMP2MMP3MAOBCYP11B1CYP11B2

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