SCHEMBL8772038

SCHEMBL8772038

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.48
MMP3 P08254 2/20 0.48
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.39
HPGD P15428 1/20 0.39
MGLL Q99685 1/20 0.39
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL8771759 0.89 MMP2 (0.51) MMP2MMP3ALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL8771786 0.88 MMP2 (0.50) MMP2MMP3ALDH1A1MAPTHPGD
SCHEMBL8772003 0.81 MMP2 (0.48) MMP2MMP3ALDH1A1MAPTRAB9A
SCHEMBL9227005 0.80 MMP2 (0.44) MMP2MMP3ALDH1A1HPGDMGLL
SCHEMBL8771875 0.79 MMP2 (0.49) MMP2MMP3ALDH1A1MAPTHPGD
SCHEMBL8772041 0.78 MMP2 (0.51) MMP2MMP3
SCHEMBL13574424 0.76 MMP2 (0.63) MMP2MMP3ALDH1A1MAPTRAB9A
SCHEMBL8682607 0.75 MMP2 (0.53) MMP2MMP3
SCHEMBL8771755 0.74 CTSS (0.56) MMP2MMP3ALDH1A1HPGDKDM4E
SCHEMBL9230030 0.71 MMP2 (0.46) MMP2MMP3ALDH1A1MAPT

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 2 patents. 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
EP-0648740-A1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP disclosed