SCHEMBL3425947

SCHEMBL3425947

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.36
MMP13 P45452 2/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MMP8 P22894 1/20 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
SCHEMBL3420948 0.93 KMT2A (0.39) HPGDSMN1; SMN2KMT2ACA1CA2
SCHEMBL14274503 0.93 KMT2A (0.39) HPGDSMN1; SMN2KMT2ACA1CA2
SCHEMBL3425856 0.92 HPGD (0.44) HPGDSMN1; SMN2KMT2AMMP13HDAC3
SCHEMBL13252218 0.89 HPGD (0.46) HPGDSMN1; SMN2KMT2AMMP13HDAC3
SCHEMBL14839202 0.89 KMT2A (0.40) HPGDSMN1; SMN2KMT2ACA1CA2
SCHEMBL7246388 0.84 RECQL (0.39) HPGDSMN1; SMN2KMT2AHDAC3HDAC1
SCHEMBL12293161 0.84 RECQL (0.39) HPGDSMN1; SMN2KMT2AHDAC3HDAC1
SCHEMBL3428068 0.82 CYP2C19 (0.39) HPGDSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL3425949 0.81 ALDH1A1 (0.38) HPGDSMN1; SMN2KMT2AMMP13CA1
SCHEMBL3425946 0.81 ALDH1A1 (0.38) HPGDSMN1; SMN2KMT2AMMP13CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472576-B1 SULFONATE DERIVATIVES AND THE USE THEROF AS LATENT ACIDS BASF SE (DE) 2013-04-24 EP disclosed
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
EP-1779104-A1 METHOD OF PRINTING A TIME-TEMPERATURE INDICATOR BASED ON AZO COUPLING REACTIONS ONTO A SUBSTRATE Ciba SC Holding AG (CH) 2007-05-02 EP disclosed
WO-2006015962-A1 METHOD OF PRINTING A TIME-TEMPERATURE INDICATOR BASED ON AZO COUPLING REACTIONS ONTO A SUBSTRATE CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-02-16 WO disclosed
US-20050153244-A1 Sulfonate derivatives and the use thereof as latent acids CIBA SPECIALTY CHEMICALS CORP. 2005-07-14 US disclosed