SCHEMBL8607278

SCHEMBL8607278

CC[C@H](C)[C@H](NC(=O)OC(C)C)C(=O)N(c1ccc(C#N)cc1)[C@H](C)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.40
CTSS P25774 3/20 0.40
CTSK P43235 3/20 0.40
CTSB P07858 2/20 0.40
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
XDH P47989 1/20 0.32
MGLL Q99685 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
TRPA1 O75762 1/20 0.31
CTSG P08311 1/20 0.31
CMA1 P23946 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
RORC P51449 1/20 0.31
MAP4K4 O95819 1/20 0.31

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
SCHEMBL8771748 0.74 CYP1A2 (0.40) CTSLCTSSCTSKCTSBMEN1
SCHEMBL8605405 0.74 TRPA1 (0.37) CTSLCTSSCTSKCTSBMEN1
SCHEMBL8607249 0.73 TSHR (0.37) TRPA1
SCHEMBL8607274 0.72 MEN1 (0.45) CTSLCTSSCTSKCTSBMEN1
SCHEMBL8607282 0.72 MEN1 (0.45) CTSLCTSSCTSKCTSBMEN1
SCHEMBL8603178 0.71 DPP4 (0.38) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL8772038 0.65 MMP2 (0.48) MGLLMMP2MMP3
SCHEMBL9830222 0.63 ALDH1A1 (0.58) CTSSCTSKMEN1KMT2AL3MBTL1
SCHEMBL8607996 0.63 ALDH1A1 (0.58) CTSSCTSKMEN1KMT2AL3MBTL1
SCHEMBL12703665 0.63 ALOX15 (0.41) CTSLCTSSCTSKCTSBMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811424-A CONTROL OF DOWNY MILDEW, LATE BLIGHT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1998-09-22 US disclosed
US-5723469-A Amino-acid amide derivatives, agricultural or horticultural fungicides, and method for producing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1998-03-03 US disclosed
EP-0648740-B1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-10-08 EP disclosed
US-5574064-A Amino-acid amide derivatives, agricultural or horticultural fungicides, and method for producing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1996-11-12 US disclosed
EP-0648740-A1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP disclosed