SCHEMBL4306176

SCHEMBL4306176

CC(C)(C)C12C[C@@H](CN1c1ncc(C(=O)NO)cn1)N(C(=O)O)C2

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 20/20 0.40
HDAC1 Q13547 20/20 0.40
HDAC2 Q92769 20/20 0.40
HDAC6 Q9UBN7 20/20 0.40
HDAC4 P56524 16/20 0.40
HDAC7 Q8WUI4 16/20 0.40
HDAC10 Q969S8 16/20 0.40
HDAC11 Q96DB2 16/20 0.40
HDAC8 Q9BY41 16/20 0.40
HDAC9 Q9UKV0 16/20 0.40
HDAC5 Q9UQL6 16/20 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
SCHEMBL4308547 0.80 HDAC3 (0.44) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL4076375 0.78 HDAC6 (0.41) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL4309821 0.78 HDAC3 (0.38) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL1366117 0.67 HDAC1 (0.45) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL3811028 0.67 HDAC1 (0.41) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL2143881 0.65 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL18356434 0.63 HDAC1 (0.41) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL1367543 0.62 HDAC6 (0.41) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL1366239 0.61 GPR119 (0.56) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL1366236 0.61 GPR119 (0.56) HDAC3HDAC1HDAC2HDAC6HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009137503-A1 HDAC INHIBITORS AND USES THEREOF ENVIVO PHARMACEUTICALS, INC. (US) 2009-11-12 WO claimed
EP-2691099-A1 METHODS OF TARGETED TREATMENT OF FRONTOTEMPORAL LOBAR DEGENERATION Envivo Pharmaceuticals, Inc. (US) 2014-02-05 EP disclosed
WO-2012135097-A1 METHODS OF TARGETED TREATMENT OF FRONTOTEMPORAL LOBAR DEGENERATION ENVIVO PHARMACEUTICALS, INC. (US) 2012-10-04 WO disclosed