SCHEMBL9799529

SCHEMBL9799529

ON=C(c1ccc(OC(F)(F)F)cc1)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GRIN2B Q13224 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
EPHX2 P34913 2/20 0.42
MAPT P10636 1/20 0.42
TRPV1 Q8NER1 4/20 0.41
FAAH O00519 1/20 0.40

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
SCHEMBL9799525 1.00 ALDH1A1 (0.53) ALDH1A1GAAALOX15HSD17B10GRIN2B
SCHEMBL9799516 0.85 GRIN2B (0.46) ALDH1A1ALOX15HSD17B10GRIN2BNPC1
SCHEMBL4665190 0.81 ALDH1A1 (0.58) ALDH1A1GAAALOX15HSD17B10GRIN2B
SCHEMBL4665191 0.81 ALDH1A1 (0.58) ALDH1A1GAAALOX15HSD17B10GRIN2B
SCHEMBL4665179 0.78 GAA (0.50) ALDH1A1GAAALOX15HSD17B10NPC1
SCHEMBL4665182 0.78 GAA (0.50) ALDH1A1GAAALOX15HSD17B10NPC1
SCHEMBL7249593 0.78 GAA (0.50) ALDH1A1GAAALOX15HSD17B10
SCHEMBL7249591 0.78 GAA (0.50) ALDH1A1GAAALOX15HSD17B10
SCHEMBL15593089 0.77 GRIN2B (0.44) GRIN2BNPC1RAB9AEPHX2MAPT
SCHEMBL13736057 0.77 GRIN2B (0.44) GRIN2BNPC1RAB9AEPHX2MAPT

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 8 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-4648895-A ANTIDOTES CIBA-GEIGY CORPORATION (US) 1987-03-10 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