SCHEMBL8771848

SCHEMBL8771848

CC(COc1ncc(C(F)(F)F)cc1Cl)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TRPA1 O75762 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
SCN9A Q15858 6/20 0.42
KMT2A Q03164 1/20 0.42
EGFR P00533 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 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
SCHEMBL9227270 0.86 ALDH1A1 (0.43) KDM4EALDH1A1SMN1; SMN2SCN9AKMT2A
SCHEMBL23926189 0.78 ALDH1A1 (0.49) KDM4EALDH1A1SMN1; SMN2SCN9AKMT2A
SCHEMBL8771993 0.77 TRPA1 (0.47) KDM4EALDH1A1TRPA1SMN1; SMN2CTSS
SCHEMBL28354862 0.77 SMN1; SMN2 (0.50) KDM4EALDH1A1SMN1; SMN2SCN9AKMT2A
SCHEMBL30450076 0.74 LMNA (0.45) KDM4EALDH1A1SMN1; SMN2SCN9AKMT2A
SCHEMBL28350965 0.74 LMNA (0.45) KDM4EALDH1A1SMN1; SMN2SCN9AKMT2A
SCHEMBL30450029 0.74 LMNA (0.45) KDM4EALDH1A1SMN1; SMN2SCN9AKMT2A
SCHEMBL8772006 0.73 CTSS (0.47) TRPA1SCN9ACTSSCTSK
SCHEMBL15731331 0.73 SCN9A (0.47) KDM4EALDH1A1SMN1; SMN2SCN9AKMT2A
SCHEMBL28350843 0.72 ALDH1A1 (0.47) KDM4EALDH1A1SMN1; SMN2SCN9AKMT2A

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