SCHEMBL9799526

SCHEMBL9799526

CCCON=C(c1ccc(Cl)cc1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.40
PSEN2 P49810 3/20 0.40
APH1B Q8WW43 3/20 0.40
NCSTN Q92542 3/20 0.40
APH1A Q96BI3 3/20 0.40
PSENEN Q9NZ42 3/20 0.40
SLC6A4 P31645 1/20 0.38
GAA P10253 3/20 0.36
LMNA P02545 2/20 0.36
ESR1 P03372 1/20 0.36
ALDH1A1 P00352 4/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL10744552 0.79 GAA (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10742966 0.78 GAA (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10040985 0.77 L3MBTL1 (0.40) GAALMNAESR1ALOX15HSD17B10
SCHEMBL10739104 0.77 TDP1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9799631 0.77 SMN1; SMN2 (0.34) GAALMNAALDH1A1ALOX15HSD17B10
SCHEMBL9799744 0.77 ALDH1A1 (0.38) GAALMNAALDH1A1ALOX15HSD17B10
SCHEMBL21504778 0.77 SLC6A4 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9799924 0.76 L3MBTL1 (0.43) GAALMNAALDH1A1NPC1CASP3
SCHEMBL11040229 0.76 L3MBTL1 (0.43) GAALMNAALDH1A1NPC1CASP3
SCHEMBL17720583 0.76 CES2 (0.38) GAALMNAALDH1A1ALOX15HSD17B10

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 6 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 claimed
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 claimed
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-4566901-A PLANT SAFENING AGENTS CIBA-GEIGY CORPORATION (US) 1986-01-28 US disclosed