SCHEMBL9799783

SCHEMBL9799783

O=[N+]([O-])c1cccc(C(=NO)C(F)(F)C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
TP53 P04637 1/20 0.51
TSHR P16473 4/20 0.50
ALDH1A1 P00352 4/20 0.50
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
LMNA P02545 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
POLB P06746 3/20 0.45
MAPT P10636 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
ALOX15 P16050 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ABCC9 O60706 1/20 0.42
ABCC8 Q09428 1/20 0.42

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
SCHEMBL9799777 1.00 CES2 (0.53) CES2CES1TP53TSHRALDH1A1
SCHEMBL6627375 0.88 CES2 (0.56) CES2CES1TP53TSHRALDH1A1
SCHEMBL6851521 0.88 CES2 (0.56) CES2CES1TP53TSHRALDH1A1
SCHEMBL9799580 0.85 ALDH1A1 (0.54) CES2CES1TP53TSHRALDH1A1
SCHEMBL27963505 0.76 CES2 (0.61) CES2CES1TP53TSHRALDH1A1
SCHEMBL30999888 0.73 TSHR (0.67) CES2CES1TP53TSHRALDH1A1
SCHEMBL29642599 0.73 TSHR (0.67) CES2CES1TP53TSHRALDH1A1
SCHEMBL29642587 0.73 ALDH1A1 (0.67) CES2CES1TP53TSHRALDH1A1
SCHEMBL5484236 0.73 ALDH1A1 (0.67) CES2CES1TP53TSHRALDH1A1
SCHEMBL5484238 0.73 ALDH1A1 (0.67) CES2CES1TP53TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5041663-A Plant safening agents CIBA-GEIGY CORPORATION (US) 1991-08-20 US disclosed
US-5032169-A Antidotes for herbicides CIBA-GEIGY CORPORATION (US) 1991-07-16 US disclosed
US-4759789-A Treating locus of plant before or during application of herbicide with oxime ether compound CIBA-GEIGY CORPORATION (US) 1988-07-26 US disclosed
US-4707182-A Phenoxine-ketal ethers, compositions containing them and the use thereof CIBA-GEIGY CORPORATION (US) 1987-11-17 US disclosed
US-4576628-A PLANT SAFENING AGENTS CIBA-GEIGY CORPORATION (US) 1986-03-18 US disclosed
US-4566901-A PLANT SAFENING AGENTS CIBA-GEIGY CORPORATION (US) 1986-01-28 US disclosed
EP-0094348-B1 OXIME ETHERS, PROCESS FOR THEIR PREPARATION, AGENTS CONTAINING THE OXIME ETHERS AND THEIR USE CIBA-GEIGY AG (CH) 1985-07-24 EP disclosed
US-4530716-A Plant safening agent CIBA-GEIGY CORPORATION (US) 1985-07-23 US disclosed
EP-0094348-A1 Oxime ethers, process for their preparation, agents containing the oxime ethers and their use CIBA-GEIGY AG (CH) 1983-11-16 EP disclosed
EP-0089313-A1 Oxime ethers, process for their preparation, compositions containing the oxime ethers and their use CIBA-GEIGY AG (CH) 1983-09-21 EP disclosed