SCHEMBL28782011

SCHEMBL28782011

C=CC(c1ccc(C)cc1O)S(=O)(=O)NC(=O)/C=C/c1c(C)nn(C)c1-n1ccc2cc(F)ccc21

nearest known ligand 0.30

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL961644 0.84 PTGER3 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL961641 0.84 PTGER3 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28782009 0.83 PTGER3 (0.31) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5126172 0.81 HDAC1 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5126177 0.81 HDAC1 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27772816 0.81 HDAC1 (0.32) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28785075 0.79 NPY5R (0.38)
SCHEMBL967736 0.78 EDNRB (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL967737 0.78 EDNRB (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27772611 0.77 HDAC1 (0.32) HDAC3HDAC4HDAC1HDAC7HDAC2

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
CN-101646653-A Fused ring compounds as partial agonists of ppar-gamma TAKEDA PHARMACEUTICAL JP 2010-02-10 CN disclosed