SCHEMBL7832242

SCHEMBL7832242

CCCCCC(=O)ONC(=O)CCCCCCc1ccc2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.49
HDAC2 Q92769 3/20 0.49
LTB4R Q15722 1/20 0.46
CYSLTR2 Q9NS75 4/20 0.44
CYSLTR1 Q9Y271 4/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
SPHK2 Q9NRA0 1/20 0.43
SPHK1 Q9NYA1 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL7832214 0.91 HDAC1 (0.51) HDAC1HDAC2LTB4RCYSLTR2CYSLTR1
SCHEMBL7835365 0.91 HDAC1 (0.51) HDAC1HDAC2LTB4RCYSLTR2CYSLTR1
SCHEMBL7832872 0.87 HDAC1 (0.54) HDAC1HDAC2CYSLTR2CYSLTR1HDAC3
SCHEMBL7829264 0.87 HDAC1 (0.54) HDAC1HDAC2CYSLTR2CYSLTR1HDAC3
SCHEMBL7835374 0.84 HDAC1 (0.52) HDAC1HDAC2LTB4RCYSLTR2CYSLTR1
SCHEMBL7820464 0.82 HDAC1 (0.51) HDAC1HDAC2CYSLTR2CYSLTR1HDAC3
SCHEMBL7829656 0.82 HDAC1 (0.51) HDAC1HDAC2CYSLTR2CYSLTR1HDAC3
SCHEMBL7831128 0.80 CYSLTR2 (0.65) HDAC1HDAC2CYSLTR2CYSLTR1
SCHEMBL6115301 0.79 KCNH2 (0.61) LTB4RCYSLTR2CYSLTR1SMN1; SMN2LMNA
SCHEMBL6114960 0.79 KCNH2 (0.61) LTB4RCYSLTR2CYSLTR1SMN1; SMN2LMNA

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-0737671-B1 Aromatic hydroxamic acid compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-12 EP disclosed
US-5804601-A USEFUL FOR TREATING ALZHEIMER'S DISEASE, MULTIPLE SCLEROSIS, BACTERIAL OR VIRAL MENINGITIS, DOWN'S SYNDROME AND PARKINSON'S DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-08 US disclosed
EP-0737671-A2 Aromatic hydroxamic acid compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1996-10-16 EP disclosed