SCHEMBL8400274

SCHEMBL8400274

COCC(=O)C(C)(C)NC(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRN P28799 6/20 0.44
SORT1 Q99523 6/20 0.44
RAB9A P51151 1/20 0.40
KCNH2 Q12809 4/20 0.39
CACNA1I Q9P0X4 4/20 0.39
CACNA1H O95180 3/20 0.38
CYP2D6 P10635 1/20 0.38
FABP4 P15090 1/20 0.38
P2RX7 Q99572 1/20 0.38
CNR2 P34972 1/20 0.37
DDR1 Q08345 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 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
SCHEMBL8405022 0.85 GRN (0.42) GRNSORT1RAB9AKCNH2CACNA1I
SCHEMBL8402048 0.83 GRN (0.40) GRNSORT1RAB9AKCNH2CACNA1I
SCHEMBL8400220 0.83 GRN (0.47) GRNSORT1RAB9AKCNH2CACNA1I
SCHEMBL8402006 0.83 GRN (0.47) GRNSORT1RAB9AKCNH2CACNA1I
SCHEMBL8400109 0.81 GRN (0.46) GRNSORT1RAB9AKCNH2CACNA1I
SCHEMBL8399960 0.79 GRN (0.43) GRNSORT1RAB9AKCNH2CACNA1I
SCHEMBL8404905 0.78 GRN (0.43) GRNSORT1RAB9AKCNH2CACNA1I
SCHEMBL8399972 0.77 GRN (0.40) GRNSORT1RAB9AKCNH2CACNA1I
SCHEMBL8405825 0.77 GRN (0.39) GRNSORT1RAB9AKCNH2CACNA1I
SCHEMBL8404914 0.77 DDR1 (0.43) GRNSORT1RAB9AKCNH2CACNA1I

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-5859063-A Use of certain N-acetonylbenzamides as fungicides ROHM AND HAAS COMPANY (US) 1999-01-12 US disclosed
US-5629346-A LOW TOXICITY ROHM AND HAAS COMPANY (US) 1997-05-13 US disclosed
US-4822902-A LOW PHYTOTOXICITY ROHM AND HAAS COMPANY (US) 1989-04-18 US disclosed
EP-0173453-B1 SUBSTITUTED N-ACETONYLBENZAMIDES AND THEIR USE AS FUNGICIDES ROHM AND HAAS COMPANY (US) 1988-07-13 EP disclosed
EP-0173453-A1 Substituted N-acetonylbenzamides and their use as fungicides ROHM AND HAAS COMPANY (US) 1986-03-05 EP disclosed