SCHEMBL3425858

SCHEMBL3425858

CCOCCOCCOCCS(=O)(=O)O.COc1ccc(C(=NO)C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 5/20 0.37
GAA P10253 2/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 2/20 0.35
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
CES2 O00748 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL3425855 1.00 SMN1; SMN2 (0.42) SMN1; SMN2HPGDALDH1A1GAAALOX15
SCHEMBL3425946 0.92 ALDH1A1 (0.38) SMN1; SMN2HPGDALDH1A1GAAALOX15
SCHEMBL3425949 0.92 ALDH1A1 (0.38) SMN1; SMN2HPGDALDH1A1GAAALOX15
SCHEMBL3420951 0.87 ALDH1A1 (0.41) SMN1; SMN2HPGDALDH1A1GAAALOX15
SCHEMBL3420945 0.87 ALDH1A1 (0.41) SMN1; SMN2HPGDALDH1A1GAAALOX15
SCHEMBL3425856 0.82 HPGD (0.44) SMN1; SMN2HPGDALDH1A1GAAKDM4E
SCHEMBL13252218 0.79 HPGD (0.46) SMN1; SMN2HPGDALDH1A1GAAKDM4E
SCHEMBL3425638 0.78 HSD17B10 (0.36) SMN1; SMN2ALDH1A1GAAALOX15HSD17B10
SCHEMBL3425644 0.78 HSD17B10 (0.36) SMN1; SMN2ALDH1A1GAAALOX15HSD17B10
SCHEMBL3424093 0.77 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1GAAALOX15HSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754273-B2 Method of printing a time-temperature indicator based on azo coupling reactions onto a susbtrate CIBA SPECIALTY CHEMICALS CORP. (US) 2010-07-13 US disclosed
US-20080286693-A1 Sulfonate derivatives and the use thereof as latent acids MATSUMOTO AKIRA 2008-11-20 US disclosed
US-7326511-B2 Sulfonate derivatives and the use thereof as latent acids CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-02-05 US disclosed
US-20070218206-A1 Method of Printing a Time-Temperature Indicator Based on Azo Coupling Reactions onto a Susbtrate CIBA SPECIALTY CHEMICALS CORP. 2007-09-20 US disclosed
US-20050153244-A1 Sulfonate derivatives and the use thereof as latent acids CIBA SPECIALTY CHEMICALS CORP. 2005-07-14 US disclosed