SCHEMBL535058

SCHEMBL535058

C=C(C)C(=O)C(=O)CCCOc1ccc(C2(c3ccc(OCCCC(=O)C(=O)C(=C)C)cc3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 14/20 0.43
HDAC3 O15379 5/20 0.38
HDAC4 P56524 5/20 0.38
HDAC1 Q13547 5/20 0.38
HDAC7 Q8WUI4 5/20 0.38
HDAC2 Q92769 5/20 0.38
HDAC10 Q969S8 5/20 0.38
HDAC11 Q96DB2 5/20 0.38
HDAC8 Q9BY41 5/20 0.38
HDAC6 Q9UBN7 5/20 0.38
HDAC9 Q9UKV0 5/20 0.38
HDAC5 Q9UQL6 5/20 0.38
FFAR4 Q5NUL3 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
SCHEMBL534211 0.94 PDK2 (0.41) PDK2
SCHEMBL3760944 0.86 PDK2 (0.41) PDK2
SCHEMBL534499 0.86 MAPT (0.39) PDK2
SCHEMBL534807 0.82 POLB (0.53) PDK2
SCHEMBL16425349 0.81 MAPT (0.41) PDK2
Methacrylic Acid SCHEMBL23002863 0.81 GAA (0.46) PDK2FFAR4
SCHEMBL157502 0.81 POLB (0.48) PDK2
Methacrylic Acid SCHEMBL31331565 0.81 GAA (0.46) PDK2FFAR4
SCHEMBL30800968 0.81 POLB (0.48) PDK2
SCHEMBL534652 0.79 POLB (0.50) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415794-A1 CURABLE COMPOSITION AND CURED PRODUCT THEREOF Showa Denko K.K. (JP) 2012-02-08 EP disclosed
US-20120010361-A1 CURABLE COMPOSITION AND CURED PRODUCT THEREOF SHOWA DENKO K.K. (JP) 2012-01-12 US disclosed