SCHEMBL7206923

SCHEMBL7206923

CC(C(=O)O)c1c(CC(=O)c2ccc(NS(C)(=O)=O)cc2)[nH]c2cc(Cl)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.42
MEN1 O00255 1/20 0.42
ABCC4 O15439 1/20 0.42
C5 P01031 1/20 0.42
MAPT P10636 1/20 0.42
PTGS1 P23219 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE4D Q08499 1/20 0.42
SIRT1 Q96EB6 1/20 0.39
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL6169376 0.85 PTGS2 (0.41) PTGS2HDAC3HDAC4HDAC1HDAC7
SCHEMBL6172018 0.83 PTGS2 (0.44) PTGS2MEN1ABCC4C5MAPT
SCHEMBL6169834 0.72 PTGS2 (0.52) PTGS2
SCHEMBL6172630 0.69 PTGS2 (0.46) PTGS2MEN1ABCC4C5MAPT
SCHEMBL6171537 0.69 PTGS2 (0.53) PTGS2MEN1ABCC4C5MAPT
SCHEMBL27554754 0.69 MCL1 (0.46) PTGS2
SCHEMBL8138482 0.67 ABCB11 (0.43) KIF11HPGDRECQL
SCHEMBL6172076 0.66 PTGS2 (0.50) PTGS2MEN1ABCC4C5MAPT
SCHEMBL6171863 0.66 PTGS2 (0.50) PTGS2MEN1ABCC4C5MAPT
SCHEMBL27554756 0.66 MCL1 (0.41) HPGDRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 US disclosed