SCHEMBL9799514

SCHEMBL9799514

O/N=C(/c1ccccc1)C(F)(F)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.50
ALDH1A1 P00352 5/20 0.40
CES1 P23141 4/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.34
GFER P55789 2/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.33
TSHR P16473 3/20 0.32
CES2 O00748 3/20 0.32
DAO P14920 1/20 0.32
NAPRT Q6XQN6 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
ESR1 P03372 1/20 0.31

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
SCHEMBL9799521 1.00 GAA (0.50) GAAALDH1A1CES1ALOX15HSD17B10
SCHEMBL12726768 0.88 GAA (0.47) GAAALDH1A1CES1ALOX15HSD17B10
SCHEMBL7246004 0.88 GAA (0.47) GAAALDH1A1CES1ALOX15HSD17B10
SCHEMBL9799915 0.88 GAA (0.47) GAAALDH1A1CES1ALOX15HSD17B10
SCHEMBL1669122 0.82 ALDH1A1 (0.57) GAAALDH1A1CES1ALOX15HSD17B10
SCHEMBL7246133 0.82 ALDH1A1 (0.57) GAAALDH1A1CES1ALOX15HSD17B10
SCHEMBL9799638 0.82 ALDH1A1 (0.57) GAAALDH1A1CES1ALOX15HSD17B10
SCHEMBL9799657 0.81 LMNA (0.53) GAAALDH1A1CES1ALOX15HSD17B10
SCHEMBL9799663 0.81 LMNA (0.53) GAAALDH1A1CES1ALOX15HSD17B10
SCHEMBL9799598 0.79 ALDH1A1 (0.46) GAAALDH1A1CES1ALOX15HSD17B10

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 9 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
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