SCHEMBL8772003

SCHEMBL8772003

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.48
MMP3 P08254 2/20 0.48
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
MGLL Q99685 2/20 0.41
HPGD P15428 1/20 0.41
GPR88 Q9GZN0 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 1/20 0.39
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
ABCB11 O95342 1/20 0.38
KCNH2 Q12809 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
SCHEMBL8771875 0.86 MMP2 (0.49) MMP2MMP3ALDH1A1MAPTHPGD
SCHEMBL8771759 0.81 MMP2 (0.51) MMP2MMP3ALDH1A1MAPTHPGD
SCHEMBL8772038 0.81 MMP2 (0.48) MMP2MMP3ALDH1A1MAPTMGLL
Hydrochloric Acid SCHEMBL8771786 0.80 MMP2 (0.50) MMP2MMP3ALDH1A1MAPTHPGD
SCHEMBL9225695 0.80 MGLL (0.45) MMP2MMP3MGLLGPR88
SCHEMBL8772009 0.78 MMP2 (0.51) MMP2MMP3ALDH1A1MGLLHPGD
SCHEMBL8681826 0.78 MMP2 (0.51) MMP2MMP3ALDH1A1MGLLHPGD
SCHEMBL13574424 0.76 MMP2 (0.63) MMP2MMP3ALDH1A1MAPTMGLL
SCHEMBL8771789 0.74 MTNR1A (0.47) MMP2MMP3MGLLGPR88
SCHEMBL27543904 0.73 MEN1 (0.53) ALDH1A1HPGDKMT2AL3MBTL1RAB9A

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