SCHEMBL4445324

SCHEMBL4445324

COc1cccc2c1C1Nc3ccc(C(C)C)cc3C(C)(C)C1CS2

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
IDH1 O75874 2/20 0.31
KIF11 P52732 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4814159 1.00 HDAC4 (0.33) HDAC4HDAC8IDH1KIF11GAA
SCHEMBL4813632 0.87 CREBBP (0.35)
SCHEMBL4815232 0.84 CREBBP (0.37) GAAHPGDSMN1; SMN2
SCHEMBL4816506 0.84 HPGD (0.33) HDAC4HDAC8KIF11GAAHPGD
SCHEMBL4598623 0.84 HPGD (0.33) HDAC4HDAC8KIF11GAAHPGD
SCHEMBL4816048 0.83 KMT2A (0.34) GAA
SCHEMBL4866034 0.83 NR3C1 (0.35) KIF11SMN1; SMN2
SCHEMBL4555043 0.82 MEN1 (0.33) GAAHPGD
SCHEMBL4556462 0.82 MAPT (0.36)
SCHEMBL4445605 0.82 MKNK1 (0.33)

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-2125825-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2009-12-02 EP disclosed
WO-2008079139-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-07-03 WO disclosed