SCHEMBL9409455

SCHEMBL9409455

COC(=O)COc1ccc(C(=O)Nc2ccc(C3CCNCC3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
Hydrochloric Acid SCHEMBL9409427 0.88 MEN1 (0.53) HDAC3HDAC11HDAC8HDAC6
Hydrochloric Acid SCHEMBL9409605 0.81 HDAC3 (0.49) HDAC3HDAC11HDAC8HDAC6
Hydrochloric Acid SCHEMBL9409514 0.81 HDAC3 (0.49) HDAC3HDAC11HDAC8HDAC6
SCHEMBL1990210 0.81
SCHEMBL29536763 0.81
Hydrochloric Acid SCHEMBL1996332 0.80
SCHEMBL6920605 0.79
SCHEMBL4442932 0.79 GLA (0.53)
SCHEMBL27905554 0.79 HDAC3 (0.51) HDAC3HDAC11HDAC8HDAC6
Hydrochloric Acid SCHEMBL1991534 0.78

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
EP-0604800-A1 4- 4- 4-(carboxyalkyl)-phenyl amino carbonyl -phenyl -piperedines as aggregation inhibitors Dr. Karl Thomae GmbH (DE) 1994-07-06 EP disclosed