SCHEMBL8772049

SCHEMBL8772049

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.44
MMP13 P45452 1/20 0.44
CTSL P07711 7/20 0.44
CTSS P25774 5/20 0.44
CTSB P07858 4/20 0.44
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
CTSK P43235 4/20 0.43
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.40
CTSD P07339 1/20 0.40
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
CASP3 P42574 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL9230380 0.85 ADAMTS4 (0.43) ADAMTS4MMP13CTSLCTSSCTSB
SCHEMBL8771775 0.82 MMP2 (0.46) ADAMTS4MMP13MMP2MMP3ALDH1A1
SCHEMBL8772021 0.82 MMP2 (0.46) ADAMTS4MMP13MMP2MMP3
SCHEMBL8772014 0.80 CTSK (0.53) CTSLCTSSCTSBMMP2MMP3
SCHEMBL8771906 0.79 MTNR1A (0.50) MMP2MMP3
SCHEMBL8771923 0.79 MMP2 (0.46) ADAMTS4MMP13MMP2MMP3ALDH1A1
SCHEMBL8771799 0.79 MMP2 (0.44) ADAMTS4MMP13MMP2MMP3
SCHEMBL8771770 0.78 MMP2 (0.46) MMP2MMP3
SCHEMBL8772000 0.78 MMP2 (0.46) CTSSMMP2MMP3CTSK
SCHEMBL8771821 0.78 MMP2 (0.46) ADAMTS4MMP13MMP2MMP3ALDH1A1

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