SCHEMBL3425856

SCHEMBL3425856

CCOCCOCCOCCS(=O)(=O)ON=C(c1ccc(OC)cc1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
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

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
SCHEMBL13252218 0.98 HPGD (0.46) HPGDSMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL3425947 0.92 HPGD (0.38) HPGDSMN1; SMN2ALDH1A1KMT2AL3MBTL1
SCHEMBL14274503 0.87 KMT2A (0.39) HPGDSMN1; SMN2ALDH1A1KMT2AL3MBTL1
SCHEMBL3420948 0.87 KMT2A (0.39) HPGDSMN1; SMN2ALDH1A1KMT2AL3MBTL1
SCHEMBL12293161 0.86 RECQL (0.39) HPGDSMN1; SMN2ALDH1A1KMT2AHDAC3
SCHEMBL7246388 0.86 RECQL (0.39) HPGDSMN1; SMN2ALDH1A1KMT2AHDAC3
SCHEMBL14839202 0.83 KMT2A (0.40) HPGDSMN1; SMN2ALDH1A1KMT2AL3MBTL1
SCHEMBL547036 0.82 HDAC3 (0.38) MMP13HDAC3HDAC1HDAC2
SCHEMBL547037 0.82 HDAC3 (0.38) MMP13HDAC3HDAC1HDAC2
SCHEMBL3425855 0.82 SMN1; SMN2 (0.42) HPGDSMN1; SMN2ALDH1A1KDM4EHDAC3

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