SCHEMBL9799516

SCHEMBL9799516

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.46
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
EPAS1 Q99814 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TRPV1 Q8NER1 2/20 0.40
EPHX2 P34913 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 0.85 ALDH1A1 (0.53) GRIN2BNPC1RAB9AMAPTALDH1A1
SCHEMBL9799529 0.85 ALDH1A1 (0.53) GRIN2BNPC1RAB9AMAPTALDH1A1
SCHEMBL10671620 0.82 SMN1; SMN2 (0.53) GRIN2BMAPTALDH1A1ALOX15TSHR
SCHEMBL9799553 0.82 SMN1; SMN2 (0.53) GRIN2BMAPTALDH1A1ALOX15TSHR
SCHEMBL4040563 0.78 GRIN2B (0.44) GRIN2BNPC1RAB9AMAPTTRPV1
SCHEMBL4040566 0.78 GRIN2B (0.44) GRIN2BNPC1RAB9AMAPTTRPV1
SCHEMBL13736057 0.78 GRIN2B (0.44) GRIN2BNPC1RAB9AMAPTTRPV1
SCHEMBL10671556 0.77 LMNA (0.53) MAPTALDH1A1CYP3A4ALOX15TSHR
SCHEMBL9799557 0.77 LMNA (0.53) MAPTALDH1A1CYP3A4ALOX15TSHR
SCHEMBL2323018 0.74 GRIN2B (0.58) GRIN2BRAB9AKMT2A

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 7 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