SCHEMBL8044769

SCHEMBL8044769

CCC(=O)ONC(=O)CCCCCC(C#N)(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
HDAC6 Q9UBN7 16/20 0.38
HDAC3 O15379 4/20 0.37
HDAC1 Q13547 4/20 0.37
HDAC2 Q92769 4/20 0.37
HDAC4 P56524 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
CCR1 P32246 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL8045765 0.96 CCR1 (0.40) GAAHDAC6HDAC3HDAC1HDAC2
SCHEMBL8050105 0.90 HDAC3 (0.38) GAAHDAC6HDAC3HDAC1HDAC2
SCHEMBL8045183 0.89 OPRM1 (0.43) HDAC6CCR1
SCHEMBL8044965 0.89 OPRM1 (0.43) HDAC6CCR1
SCHEMBL8035359 0.88 ALDH1A1 (0.41) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL8035617 0.83 KMT2A (0.40) GAAHDAC6HDAC3HDAC1HDAC2
SCHEMBL8035247 0.81 HDAC6 (0.54) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL8053206 0.80 FAAH (0.44) GAACCR1
SCHEMBL8052916 0.79 HDAC6 (0.41) HDAC6CCR1
SCHEMBL8045870 0.77 HDAC6 (0.49) HDAC6HDAC3HDAC1HDAC2HDAC4

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