SCHEMBL8607262

SCHEMBL8607262

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

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.50
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
PSENEN Q9NZ42 3/20 0.41
CA2 P00918 1/20 0.41
BACE1 P56817 1/20 0.39
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 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
SCHEMBL8607268 1.00 TRPA1 (0.50) TRPA1CTSSCTSKPSENENCA2
SCHEMBL8756610 0.82 TRPA1 (0.53) TRPA1CTSSCTSKCA2
SCHEMBL8607265 0.80 TRPA1 (0.50) TRPA1CTSSCTSKCA2
SCHEMBL22312263 0.77 CTSS (0.43) TRPA1CTSSCTSKCA2
SCHEMBL8971989 0.77 TRPA1 (0.57) TRPA1CTSSCTSKCA2
SCHEMBL18130613 0.76 AAK1 (0.41) TRPA1CA2
SCHEMBL24049442 0.74 PSMB5 (0.55) TRPA1CTSSCTSKPSENENCA2
SCHEMBL10175868 0.73 PSENEN (0.58) TRPA1CTSSCTSKPSENENCA2
SCHEMBL19089931 0.73 PSENEN (0.58) TRPA1CTSSCTSKPSENENCA2
SCHEMBL16667761 0.73 PSENEN (0.58) TRPA1CTSSCTSKPSENENCA2

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