SCHEMBL8045910

SCHEMBL8045910

CCC(=O)ONC(=O)CCCCCC(C#N)(c1ccc2ccccc2n1)c1cccs1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.35
HDAC2 Q92769 4/20 0.35
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
MAPT P10636 1/20 0.33
SPHK2 Q9NRA0 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
LMNA P02545 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL8052938 0.88 HDAC1 (0.35) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8049785 0.87 HDAC1 (0.37) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8052937 0.86 HDAC1 (0.48) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8046084 0.85 CYSLTR2 (0.42) MAPTLMNANPC1ALDH1A1RAB9A
SCHEMBL8050153 0.85 HDAC1 (0.36) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8047275 0.83 AHR (0.39) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8045199 0.76 HDAC1 (0.38) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8045183 0.75 OPRM1 (0.43) HDAC6RAB9A
SCHEMBL8044965 0.75 OPRM1 (0.43) HDAC6RAB9A
SCHEMBL8049690 0.73 HDAC6 (0.36) HDAC1HDAC3HDAC6LMNANPC1

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 2 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
EP-0749957-A1 Aromatic hydroxamic acid compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1996-12-27 EP disclosed