SCHEMBL8607265

SCHEMBL8607265

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.50
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
CA2 P00918 1/20 0.41
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 3/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 2/20 0.35
MAPK1 P28482 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
POLB P06746 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
SCHEMBL8756610 0.82 TRPA1 (0.53) TRPA1CTSSCTSKCA2ALDH1A1
SCHEMBL8607262 0.80 TRPA1 (0.50) TRPA1CTSSCTSKCA2
SCHEMBL8607268 0.80 TRPA1 (0.50) TRPA1CTSSCTSKCA2
SCHEMBL8971989 0.77 TRPA1 (0.57) TRPA1CTSSCTSKCA2HTT
SCHEMBL24049442 0.71 PSMB5 (0.55) TRPA1CTSSCTSKCA2PPARG
SCHEMBL8208564 0.71 CA2 (0.53) TRPA1CTSSCTSKCA2LMNA
SCHEMBL8194722 0.70 CA2 (0.57) TRPA1CTSSCTSKCA2PPARG
SCHEMBL20971614 0.68 HPGD (0.53) TRPA1CTSSCTSKCA2ALDH1A1
SCHEMBL29781738 0.68 HPGD (0.53) TRPA1CTSSCTSKCA2ALDH1A1
SCHEMBL25343185 0.68 CYP3A4 (0.61) TRPA1CTSSCTSKCA2ALDH1A1

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