SCHEMBL9799574

SCHEMBL9799574

Cc1ccc(C(=NO)C(F)(F)F)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
GAA P10253 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TSHR P16473 1/20 0.45
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
LMNA P02545 3/20 0.40
KMT2A Q03164 3/20 0.40
GFER P55789 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 2/20 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
SCHEMBL9799567 1.00 ALDH1A1 (0.53) ALDH1A1GAAALOX15HSD17B10TSHR
SCHEMBL19743313 0.84 TSHR (0.49) ALDH1A1GAAALOX15HSD17B10TSHR
SCHEMBL19743314 0.84 TSHR (0.49) ALDH1A1GAAALOX15HSD17B10TSHR
SCHEMBL20768563 0.81 RXRB (0.48) ALDH1A1GAAALOX15HSD17B10TSHR
SCHEMBL4668500 0.78 ALDH1A1 (0.63) ALDH1A1GAAALOX15HSD17B10LMNA
SCHEMBL4668497 0.78 ALDH1A1 (0.63) ALDH1A1GAAALOX15HSD17B10LMNA
SCHEMBL24683843 0.75 GAA (0.50) ALDH1A1GAAALOX15HSD17B10TSHR
SCHEMBL29824637 0.75 GAA (0.50) ALDH1A1GAAALOX15HSD17B10TSHR
SCHEMBL9799603 0.73 HSD17B10 (0.49) ALDH1A1GAAALOX15HSD17B10TSHR
SCHEMBL9799599 0.73 HSD17B10 (0.49) ALDH1A1GAAALOX15HSD17B10TSHR

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