SCHEMBL8044920

SCHEMBL8044920

COc1ccc(C(C#N)(CCCCCC(=O)NO)c2ccc3ccccc3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.51
HDAC8 Q9BY41 11/20 0.47
HDAC6 Q9UBN7 5/20 0.47
HDAC3 O15379 5/20 0.47
HDAC2 Q92769 5/20 0.47
HDAC4 P56524 4/20 0.47
HDAC7 Q8WUI4 4/20 0.47
HDAC10 Q969S8 4/20 0.47
HDAC11 Q96DB2 4/20 0.47
HDAC9 Q9UKV0 4/20 0.47
HDAC5 Q9UQL6 4/20 0.47

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
SCHEMBL8045041 0.90 HDAC1 (0.56) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8052846 0.90 HDAC1 (0.56) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8045031 0.85 MMP3 (0.45) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8052660 0.85 PPARG (0.43)
SCHEMBL8049803 0.81 HDAC1 (0.47) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8035139 0.80 HDAC1 (0.51) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8035137 0.80 HDAC1 (0.51) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8035097 0.79 HDAC1 (0.50) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8052628 0.78 HDAC1 (0.44) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8044651 0.78 HDAC1 (0.50) HDAC1HDAC8HDAC6HDAC3HDAC2

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
EP-0749957-B1 Aromatic hydroxamic acid compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-04-26 EP disclosed
US-5891916-A ANTINEUROGEGERATIVE AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-04-06 US disclosed
EP-0749957-A1 Aromatic hydroxamic acid compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1996-12-27 EP disclosed