SCHEMBL9799583

SCHEMBL9799583

O/N=C(/c1cccc(Cl)c1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
GAA P10253 3/20 0.43
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GRIN2B Q13224 2/20 0.40
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
CTSL P07711 1/20 0.37
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37
ITGA5 P08648 1/20 0.37

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
SCHEMBL9799587 1.00 PARP1 (0.44) PARP1GAAALDH1A1ALOX15HSD17B10
SCHEMBL24683843 0.86 GAA (0.50) GAAALDH1A1ALOX15HSD17B10MAPT
SCHEMBL29824637 0.86 GAA (0.50) GAAALDH1A1ALOX15HSD17B10MAPT
SCHEMBL6626642 0.78 F2 (0.44) GAAALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL6626644 0.78 F2 (0.44) GAAALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL9799535 0.78 CES2 (0.56) GAAALDH1A1ALOX15HSD17B10HTT
SCHEMBL9799542 0.78 CES2 (0.56) GAAALDH1A1ALOX15HSD17B10HTT
SCHEMBL9799873 0.78 CES2 (0.56) GAAALDH1A1ALOX15HSD17B10HTT
SCHEMBL12985567 0.76 CA12 (0.46) GAAALDH1A1ALOX15HSD17B10TSHR
SCHEMBL12985570 0.76 CA12 (0.46) GAAALDH1A1ALOX15HSD17B10TSHR

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 4 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-4566901-A PLANT SAFENING AGENTS CIBA-GEIGY CORPORATION (US) 1986-01-28 US disclosed