SCHEMBL8045767

SCHEMBL8045767

CCC(=O)c1ccccc1C(C#N)(CCCCCC(=O)NO)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 18/20 0.41
HDAC3 O15379 2/20 0.40
HDAC2 Q92769 2/20 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
SCHEMBL8045870 0.83 HDAC6 (0.49) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8035247 0.83 HDAC6 (0.54) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8046382 0.76 HDAC1 (0.51) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8035139 0.76 HDAC1 (0.51) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8035137 0.76 HDAC1 (0.51) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8044651 0.74 HDAC1 (0.50) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8045765 0.74 CCR1 (0.40) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8044351 0.74 HDAC1 (0.54) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8044769 0.73 GAA (0.39) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8035262 0.72 HDAC1 (0.51) 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