SCHEMBL8200987

SCHEMBL8200987

CCOCN(C(=O)CCl)c1c(C)cccc1C(F)(F)F

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.69
ALDH1A1 P00352 5/20 0.69
TDP1 Q9NUW8 3/20 0.69
CYP3A4 P08684 1/20 0.69
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.41
NR1I2 O75469 1/20 0.41
TSHR P16473 1/20 0.39
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PAX8 Q06710 2/20 0.35
GPX4 P36969 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RORC P51449 1/20 0.35
XPO1 O14980 1/20 0.34
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL9292342 0.92 TP53 (0.58) TP53ALDH1A1TDP1CYP3A4MEN1
SCHEMBL11099540 0.89 TP53 (0.58) TP53ALDH1A1TDP1CYP3A4MEN1
SCHEMBL10661584 0.88 ALDH1A1 (0.54) TP53ALDH1A1TDP1CYP3A4MEN1
SCHEMBL10663763 0.88 TP53 (0.54) TP53ALDH1A1TDP1CYP3A4MEN1
SCHEMBL10665253 0.88 TP53 (0.53) TP53ALDH1A1TDP1CYP3A4MEN1
SCHEMBL10663490 0.88 TP53 (0.69) TP53ALDH1A1TDP1CYP3A4MEN1
SCHEMBL10664916 0.87 TP53 (0.53) TP53ALDH1A1TDP1CYP3A4MEN1
SCHEMBL9183172 0.87 TDP1 (0.51) TP53ALDH1A1TDP1CYP3A4MEN1
SCHEMBL10536548 0.87 ALDH1A1 (0.84) TP53ALDH1A1TDP1CYP3A4MEN1
SCHEMBL10871245 0.85 ALDH1A1 (0.48) TP53ALDH1A1TDP1CYP3A4MEN1

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 109 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0565593-B1 REDUCING PESTICIDAL INTERACTIONS IN CROPS MONSANTO CO (US) 1999-03-03 EP claimed
EP-0603240-A1 SAFENING HERBICIDAL PYRAZOLYLSULFONYLURES MONSANTO COMPANY (US) 1994-06-29 EP claimed
EP-0252897-B1 Formulations of water-dispersible granules and process for preparation thereof MONSANTO CO (US) 1994-02-16 EP claimed
US-5256626-A Herbicidal compositions safened by 5-heterocyclic-substituted oxazolidine dihaloacetamides compounds MONSANTO COMPANY (US) 1993-10-26 US claimed
EP-0230871-B1 HALOACYL 1-SUBSTITUTED-1,2,3,4-TETRAHYDROISOQUINOLINES AS HERBICIDE ANTIDOTES Monsanto Company (US) 1993-09-22 EP claimed
EP-0531271-A1 Safening herbicidal pyrazolysulfonylureas MONSANTO COMPANY (US) 1993-03-10 EP claimed
WO-1993003615-A1 SAFENING HERBICIDAL PYRAZOLYLSULFONYLURES MONSANTO COMPANY (US) 1993-03-04 WO claimed
EP-0304409-B1 5-HETEROCYCLIC-SUBSTITUTED OXAZOLIDINE HALOACETAMIDES MONSANTO CO (US) 1992-10-28 EP claimed
WO-1992011761-A1 REDUCING PESTICIDAL INTERACTIONS IN CROPS MONSANTO COMPANY (US) 1992-07-23 WO claimed
US-5000775-A 2-amino-4,5-disubstituted-oxazole/thiazole compounds as herbicide antidotes MONSANTO COMPANY (US) 1991-03-19 US claimed
US-4602454-A PLANT SAFENING AGENTS, SEEDS CHLOROACETAMIDE HERBICIDES MONSANTO COMPANY (US) 1986-07-29 US claimed
US-4586948-A 2,4-disubstituted-5-thiazole-carboxylic acids and derivatives MONSANTO COMPANY (US) 1986-05-06 US claimed
US-4460406-A Herbicidal concentrated emulsions MONSANTO COMPANY (US) 1984-07-17 US claimed
US-4437875-A PLANT SAFENING AGENT FOR ACETAMIDE HERBICIDE MONSANTO COMPANY (US) 1984-03-20 US claimed
US-4437876-A PLANT SAFENING AGENTS FOR ACETAMIDE HERBICIDES MONSANTO COMPANY (US) 1984-03-20 US claimed
US-4417916-A POLYMETHYLENEPOLYPHENYLENE POLYISOCYANATE, POLYUREA, LIGNIN MONSANTO COMPANY (US) 1983-11-29 US claimed
EP-0093105-A2 Herbicidal concentrated emulsions MONSANTO COMPANY (US) 1983-11-02 EP claimed
EP-0064353-A1 Use of 2,4-disubstituted-5-thiazolecarboxylic acids and derivatives for reducing injury to crop plants by acetamide herbicides MONSANTO COMPANY (US) 1982-11-10 EP claimed
US-4296254-A N-METHYLENE ETHER-2-HALOACETAMIDES, ACID CATALYST MONSANTO COMPANY (US) 1981-10-20 US claimed
US-4258196-A REACTING THE ANION OF A PRIMARY OR SECONDARY 2-HALOACETAMIDE WITH AN ALKYLATING AGENT MONSANTO COMPANY (US) 1981-03-24 US claimed