SCHEMBL9230882

SCHEMBL9230882

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.46
MMP3 P08254 1/20 0.46
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
EGLN2 Q96KS0 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL9230030 0.89 MMP2 (0.46) MMP2MMP3CTSSCTSKEGLN2
SCHEMBL9230213 0.85 MMP2 (0.45) MMP2MMP3CTSSCTSKEGLN2
SCHEMBL9227005 0.84 MMP2 (0.44) MMP2MMP3CTSSCTSKEGLN2
SCHEMBL9228630 0.81 MMP2 (0.45) MMP2MMP3ALDH1A1MAPTHPGD
SCHEMBL8772014 0.79 CTSK (0.53) MMP2MMP3CTSSCTSK
SCHEMBL8605260 0.76 CTSS (0.52) MMP2MMP3CTSSCTSK
SCHEMBL8771983 0.75 CTSL (0.55) MMP2MMP3CTSSCTSKAAK1
SCHEMBL8603257 0.75 MMP2 (0.45) MMP2MMP3CTSSCTSKAAK1
SCHEMBL8603253 0.74 MMP2 (0.45) MMP2MMP3CTSSCTSKAAK1
SCHEMBL8771755 0.74 CTSS (0.56) MMP2MMP3CTSSCTSKALDH1A1

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