SCHEMBL27908341

SCHEMBL27908341

CC(C)(C)OC(=O)NCc1ccc(/C=C/C(=O)NO)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 17/20 0.56
HDAC8 Q9BY41 17/20 0.56
HDAC2 Q92769 16/20 0.56
HDAC1 Q13547 16/20 0.56
HDAC6 Q9UBN7 10/20 0.55
HDAC4 P56524 6/20 0.54
HDAC7 Q8WUI4 6/20 0.54
HDAC10 Q969S8 6/20 0.54
HDAC11 Q96DB2 6/20 0.54
HDAC9 Q9UKV0 6/20 0.54
HDAC5 Q9UQL6 6/20 0.54

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
SCHEMBL5598396 0.88 L3MBTL1 (0.48) HDAC1
SCHEMBL5598393 0.88 L3MBTL1 (0.48) HDAC1
SCHEMBL1165045 0.86 CA1 (0.51) HDAC3HDAC8HDAC2HDAC1HDAC6
SCHEMBL3674926 0.86 CA1 (0.51) HDAC3HDAC8HDAC2HDAC1HDAC6
SCHEMBL6987937 0.83 CA12 (0.55)
SCHEMBL30944751 0.83 CA12 (0.55)
SCHEMBL3180689 0.82 L3MBTL1 (0.61) HDAC1HDAC6HDAC10
SCHEMBL208544 0.81 EPHX2 (0.57) HDAC1
SCHEMBL19853209 0.80 L3MBTL1 (0.51) HDAC1HDAC6HDAC10
SCHEMBL30711975 0.78 HDAC8 (0.69) HDAC3HDAC8HDAC2HDAC1HDAC6

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-102898378-A Phthalazinone derivatives and application thereof JIANGSU SIMCERE PHARM CO LTD 2013-01-30 CN disclosed