SCHEMBL9874189

SCHEMBL9874189

C=CCN(CC(OC)OC)C(=O)C(Cl)Cl

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
DPP4 P27487 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL9178860 0.81 ALDH1A1 (0.38) ALDH1A1DPP4MEN1KMT2ALMNA
Dichlormid SCHEMBL117463 0.80 ALDH1A1 (0.46) ALDH1A1DPP4MEN1KMT2AMAPT
Dichlormid SCHEMBL20564640 0.80 ALDH1A1 (0.46) ALDH1A1DPP4MEN1KMT2AMAPT
SCHEMBL10559103 0.78 ALDH1A1 (0.42) ALDH1A1DPP4MEN1KMT2A
Dichlormid SCHEMBL10836602 0.77 ALDH1A1 (0.41) ALDH1A1DPP4MEN1KMT2AMAPT
SCHEMBL11748479 0.77 ALDH1A1 (0.41) ALDH1A1DPP4MEN1KMT2ALMNA
SCHEMBL10567646 0.76 MEN1 (0.33) ALDH1A1DPP4MEN1KMT2A
SCHEMBL23532503 0.75 TDP1 (0.36) ALDH1A1DPP4MEN1KMT2ALMNA
SCHEMBL8741042 0.75 ALDH1A1 (0.38) ALDH1A1DPP4MEN1KMT2ALMNA
SCHEMBL11153491 0.74 ALDH1A1 (0.33) ALDH1A1DPP4MEN1KMT2ALMNA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5011526-A Combination of thiocarbamate herbicide, organophosphorus compound, antidote ICI AMERICAS INC. (US) 1991-04-30 US claimed
US-4531970-A Antidotal compound and method PPG INDUSTRIES, INC. (US) 1985-07-30 US claimed
US-4443628-A Antidotal compounds for use with herbicides PPG INDUSTRIES, INC. (US) 1984-04-17 US claimed
JP-1052704-A None JP disclosed
US-5011526-A Combination of thiocarbamate herbicide, organophosphorus compound, antidote ICI AMERICAS INC. (US) 1991-04-30 US disclosed
JP-S6452704-A DETOXIFYING COMPOUND FOR USE TOGETHER WITH HERBICIDE, HERBICIDAL DETOXICANT AND MANUFACTURE CHEVRON RES 1989-02-28 JP disclosed
EP-0031686-B1 ANTIDOTAL COMPOUNDS, THEIR PREPARATION AND THEIR USE WITH HERBICIDES PPG INDUSTRIES, INC. (US) 1986-10-29 EP disclosed
US-4614828-A IMPROVES SOIL PRESISTANCE OF THIOCARBAMATE HERBICIDES STAUFFER CHEMICAL CO. (US) 1986-09-30 US disclosed
US-4531970-A Antidotal compound and method PPG INDUSTRIES, INC. (US) 1985-07-30 US disclosed
US-4443628-A Antidotal compounds for use with herbicides PPG INDUSTRIES, INC. (US) 1984-04-17 US disclosed
US-4400197-A N-(Optionally substituted 1,3-dioxolan- or dioxan-2-ylmethyl)-N-alkyl, alkenyl, or alkynyl-2,2-dichloroacetamides PPG INDUSTRIES, INC. (US) 1983-08-23 US disclosed
US-4294764-A N-(Optionally substituted 1,3-dioxolan- or dioxan-2-ylmethyl)-N-alkyl, alkenyl, or alkynyl-2,2-dichloroacetamides PPG INDUSTRIES, INC. (US) 1981-10-13 US disclosed
EP-0031686-A1 Antidotal compounds, their preparation and their use with herbicides PPG INDUSTRIES, INC. (US) 1981-07-08 EP disclosed