SCHEMBL8772045

SCHEMBL8772045

Cc1ccc(COC(=O)N(C(C)COc2ccc(C#N)cc2)[C@H](C(N)=O)C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.44
MMP2 P08253 2/20 0.43
ALDH1A1 P00352 3/20 0.41
PARP10 Q53GL7 1/20 0.40
RAB9A P51151 1/20 0.40
ADAMTS4 O75173 1/20 0.40
MMP13 P45452 1/20 0.40
MMP3 P08254 1/20 0.39
KCNH2 Q12809 1/20 0.38
CYP19A1 P11511 2/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 1/20 0.36
HTR2A P28223 3/20 0.36
HPGD P15428 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL8772015 0.84 MMP2 (0.44) MAOBMMP2ALDH1A1PARP10ADAMTS4
SCHEMBL8771919 0.81 MMP2 (0.45) MAOBMMP2ALDH1A1PARP10RAB9A
SCHEMBL8771901 0.81 MMP2 (0.45) MAOBMMP2ALDH1A1ADAMTS4MMP13
SCHEMBL8771794 0.80 MMP2 (0.43) MAOBMMP2ALDH1A1PARP10MMP3
SCHEMBL8771816 0.80 MMP2 (0.44) MAOBMMP2ALDH1A1PARP10RAB9A
SCHEMBL8771767 0.80 MMP2 (0.44) MAOBMMP2ALDH1A1MMP3MAPT
SCHEMBL8771765 0.78 MMP2 (0.43) MAOBMMP2ALDH1A1PARP10MMP3
SCHEMBL8771846 0.77 MMP2 (0.41) MAOBMMP2ALDH1A1RAB9AMMP3
SCHEMBL8771861 0.75 MMP2 (0.43) MAOBMMP2ALDH1A1ADAMTS4MMP13
SCHEMBL8771753 0.74 MMP2 (0.39) MAOBMMP2ALDH1A1MMP3HPGD

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