SCHEMBL7896028

SCHEMBL7896028

CC1CC(NCc2ccc(/C=C/C(=O)NO)cc2)(C(=O)OC2CCCC2)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 16/20 0.51
HDAC1 Q13547 16/20 0.51
HDAC8 Q9BY41 14/20 0.51
HDAC6 Q9UBN7 8/20 0.51
HDAC4 P56524 7/20 0.51
HDAC5 Q9UQL6 6/20 0.51
HDAC2 Q92769 13/20 0.46
HDAC10 Q969S8 3/20 0.44
MEF2D Q14814 2/20 0.43
KDM1A O60341 2/20 0.41
MAOA P21397 1/20 0.41
HDAC7 Q8WUI4 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40

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
SCHEMBL181804 0.89 HDAC3 (0.55) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL7897375 0.89 HDAC3 (0.55) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL7898196 0.89 HDAC3 (0.54) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL9895471 0.89 HDAC3 (0.54) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL7896020 0.89 HDAC3 (0.54) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL9895152 0.89 HDAC3 (0.54) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL7897997 0.88 HDAC3 (0.56) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL9895603 0.88 HDAC3 (0.56) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL2704438 0.85 HDAC3 (0.50) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL2704435 0.85 HDAC3 (0.50) HDAC3HDAC1HDAC8HDAC6HDAC4

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
WO-2010097586-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-09-02 WO disclosed