SCHEMBL8399956

SCHEMBL8399956

CC(C)(NC(=O)c1cccc(Cl)c1)C(=O)CCl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
HPGD P15428 1/20 0.48
SLC6A2 P23975 2/20 0.48
PKM P14618 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CHRNA1 P02708 1/20 0.48
CHRNG P07510 1/20 0.48
ITGA5 P08648 1/20 0.48
CHRNB1 P11230 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
SLC6A4 P31645 1/20 0.48
CHRNA3 P32297 1/20 0.48
CYP2C19 P33261 1/20 0.48
HRH1 P35367 1/20 0.48
CHRNA7 P36544 1/20 0.48
OPRK1 P41145 1/20 0.48
CHRNA4 P43681 1/20 0.48
SLC6A3 Q01959 1/20 0.48

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
SCHEMBL8400197 0.88 HPGD (0.46) HPGDSLC6A2PKMNPC1CHRNA1
SCHEMBL8402006 0.86 GRN (0.47) RAB9ACYP2C19KCNH2MEN1KMT2A
SCHEMBL28451351 0.84 KCNK3 (0.53) SLC6A2PKMCHRNA1CHRNGITGA5
SCHEMBL8396092 0.82 SLC6A2 (0.58) L3MBTL1SLC6A2PKMCHRNA1CHRNG
SCHEMBL8520220 0.79 CACNA1H (0.45) NPC1RAB9ACYP2C19KCNH2MEN1
SCHEMBL8400113 0.78 SLC6A2 (0.48) HPGDSLC6A2PKMNPC1CHRNA1
SCHEMBL27648868 0.78 ALDH1A1 (0.48) HPGDSLC6A2PKMCHRNA1CHRNG
SCHEMBL14184751 0.77 POLB (0.37) HPGDNPC1CYP2C19MEN1KMT2A
SCHEMBL5429351 0.77 PKM (0.49) HPGDSLC6A2PKMNPC1RAB9A
SCHEMBL557636 0.76 ANO1 (0.60) L3MBTL1SLC6A2PKMNPC1RAB9A

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 7 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-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
US-4354032-A PREEMERGENCE HERBICIDES PPG INDUSTRIES, INC. (US) 1982-10-12 US disclosed
US-4261732-A Alkyl and alkoxyalkyl N-3-alkyl and N-3,5-dialkylbenzoyl-N-isopropylaminoacetate herbicides PPG INDUSTRIES, INC. (US) 1981-04-14 US disclosed
US-4197114-A Alkyl N-3-alkoxy-, and N-3,5-dialkoxybenzoyl-N-isopropylaminoacetate herbicides PPG INDUSTRIES, INC. (US) 1980-04-08 US disclosed