SCHEMBL7833657

SCHEMBL7833657

CC1=C(C)C(=O)C(C(CCCCCC(=O)NO)c2ccccc2)=C(C)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.49
HDAC8 Q9BY41 14/20 0.49
HDAC2 Q92769 10/20 0.49
HDAC4 P56524 9/20 0.49
HDAC7 Q8WUI4 9/20 0.49
HDAC11 Q96DB2 9/20 0.49
HDAC6 Q9UBN7 9/20 0.49
HDAC9 Q9UKV0 9/20 0.49
HDAC5 Q9UQL6 9/20 0.49
HDAC3 O15379 8/20 0.49
HDAC10 Q969S8 8/20 0.49
ALOX5 P09917 1/20 0.46
KDM4E B2RXH2 1/20 0.46
BRD4 O60885 1/20 0.46
NCOR1 O75376 1/20 0.46
NR1I2 O75469 1/20 0.46
EGFR P00533 1/20 0.46
CYP3A4 P08684 1/20 0.46
LTA4H P09960 1/20 0.46
NR0B1 P51843 1/20 0.46

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
SCHEMBL9309807 0.99 HDAC1 (0.49) HDAC1HDAC8HDAC2HDAC4HDAC7
SCHEMBL7832551 0.91 HDAC1 (0.48) HDAC1HDAC8HDAC2HDAC4HDAC7
SCHEMBL7828928 0.91 HDAC1 (0.49) HDAC1HDAC8HDAC2HDAC4HDAC7
SCHEMBL7831165 0.89 HDAC6 (0.47) HDAC1HDAC8HDAC2HDAC4HDAC7
SCHEMBL9558902 0.87 HDAC1 (0.51) HDAC1HDAC8HDAC2HDAC4HDAC7
SCHEMBL9308117 0.87 TBXAS1 (0.52) HDAC1HDAC8HDAC2HDAC4HDAC7
Seratrodast SCHEMBL98402 0.87 TBXAS1 (0.52) HDAC1HDAC8HDAC2HDAC4HDAC7
Seratrodast SCHEMBL98403 0.87 TBXAS1 (0.52) HDAC1HDAC8HDAC2HDAC4HDAC7
SCHEMBL9309809 0.87 FAAH (0.45) HDAC1HDAC8HDAC2HDAC4HDAC7
SCHEMBL7832731 0.86 HDAC1 (0.47) HDAC1HDAC8HDAC2HDAC4HDAC7

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