SCHEMBL9558902

SCHEMBL9558902

COc1ccc(C(CCCCCC(=O)NO)C2=C(C)C(=O)C(C)=C(C)C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.51
HDAC8 Q9BY41 10/20 0.51
HDAC2 Q92769 10/20 0.51
HDAC3 O15379 8/20 0.51
HDAC10 Q969S8 8/20 0.51
HDAC6 Q9UBN7 8/20 0.51
HDAC5 Q9UQL6 7/20 0.51
HDAC11 Q96DB2 6/20 0.51
HDAC4 P56524 6/20 0.51
HDAC7 Q8WUI4 6/20 0.51
HDAC9 Q9UKV0 6/20 0.51
MMP1 P03956 1/20 0.45
STAT3 P40763 1/20 0.44

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
SCHEMBL7829923 0.90 HDAC1 (0.49) HDAC1HDAC8HDAC2HDAC3HDAC10
SCHEMBL7829454 0.89 HDAC1 (0.48) HDAC1HDAC8HDAC2HDAC3HDAC10
SCHEMBL7828928 0.89 HDAC1 (0.49) HDAC1HDAC8HDAC2HDAC3HDAC10
SCHEMBL2453660 0.89 PDE4B (0.44)
SCHEMBL2460183 0.87 PDE4B (0.45)
SCHEMBL7833657 0.87 HDAC1 (0.49) HDAC1HDAC8HDAC2HDAC3HDAC10
SCHEMBL7831165 0.86 HDAC6 (0.47) HDAC1HDAC8HDAC2HDAC3HDAC10
SCHEMBL9309807 0.86 HDAC1 (0.49) HDAC1HDAC8HDAC2HDAC3HDAC10
SCHEMBL9309249 0.79 PTGER2 (0.37) HDAC1HDAC8HDAC2HDAC3HDAC6
SCHEMBL7832551 0.79 HDAC1 (0.48) HDAC1HDAC8HDAC2HDAC3HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1104033-A None JP disclosed
US-5272180-A Cell proliferation inhibitor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-12-21 US disclosed
EP-0301861-B1 CELL PROLIFERATION INHIBITORS Takeda Chemical Industries, Ltd. (JP) 1992-04-01 EP disclosed
JP-H01104033-A HYDROXAMIC ACID DERIVATIVE TAKEDA CHEM IND LTD 1989-04-21 JP disclosed
EP-0301861-A1 Cell proliferation inhibitors Takeda Chemical Industries, Ltd. (JP) 1989-02-01 EP disclosed