SCHEMBL27905554

SCHEMBL27905554

CC(C)(C)C(=O)Oc1ccc(NC(=O)c2ccc(C3CCNCC3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
DEGS1 O15121 1/20 0.51
P2RY14 Q15391 1/20 0.49

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
SCHEMBL27674642 0.87 ELANE (0.53)
Tert-Butyl Formate SCHEMBL27905556 0.80 DEGS1 (0.58) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL27694104 0.80 MAPT (0.57)
SCHEMBL27694107 0.80 MAPT (0.57)
SCHEMBL9409455 0.79 HDAC3 (0.50) HDAC3HDAC11HDAC8HDAC6
SCHEMBL28778499 0.78 HDAC3 (0.61) HDAC3HDAC11HDAC8HDAC6
SCHEMBL28778473 0.78 HDAC3 (0.61) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL1990859 0.78 HDAC3 (0.61) HDAC3HDAC11HDAC8HDAC6
SCHEMBL6920605 0.78
SCHEMBL18553776 0.78 P2RY14 (0.66) HDAC3HDAC11HDAC8HDAC6P2RY14

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-101035777-B HCV replication modulators ANGELETTI P IST RICHERCHE BIO 2013-01-02 CN disclosed