SCHEMBL28782009

SCHEMBL28782009

Cc1ccc(C=CCS(=O)(=O)NC(=O)/C=C/c2c(C)nn(C)c2-n2ccc3cc(F)ccc32)c(O)c1

nearest known ligand 0.31

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
LMNA P02545 2/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 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
SCHEMBL961641 0.85 PTGER3 (0.36) PTGER3HDAC3HDAC4HDAC1HDAC7
SCHEMBL961644 0.85 PTGER3 (0.36) PTGER3HDAC3HDAC4HDAC1HDAC7
SCHEMBL28782011 0.83 HDAC3 (0.30) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28781992 0.82 PPARG (0.31)
SCHEMBL5126177 0.82 HDAC1 (0.37) PTGER3HDAC3HDAC4HDAC1HDAC7
SCHEMBL5126172 0.82 HDAC1 (0.37) PTGER3HDAC3HDAC4HDAC1HDAC7
SCHEMBL964203 0.81 PPARG (0.41) PTGER3HDAC3HDAC4HDAC1HDAC7
SCHEMBL964205 0.81 PPARG (0.41) PTGER3HDAC3HDAC4HDAC1HDAC7
SCHEMBL964506 0.79 HDAC3 (0.33) PTGER3HDAC3HDAC4HDAC1HDAC7
SCHEMBL964504 0.79 HDAC3 (0.33) PTGER3HDAC3HDAC4HDAC1HDAC7

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