SCHEMBL7829454

SCHEMBL7829454

COc1ccc(C(CCCCC(=O)NO)C2=C(C)C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.48
HDAC2 Q92769 7/20 0.48
HDAC8 Q9BY41 6/20 0.48
HDAC3 O15379 3/20 0.48
HDAC4 P56524 3/20 0.48
HDAC7 Q8WUI4 3/20 0.48
HDAC10 Q969S8 3/20 0.48
HDAC11 Q96DB2 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC9 Q9UKV0 3/20 0.48
HDAC5 Q9UQL6 3/20 0.48
BMP1 P13497 3/20 0.45
MMP1 P03956 2/20 0.44
MMP2 P08253 2/20 0.43
MMP3 P08254 2/20 0.43
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43

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
SCHEMBL7829923 0.99 HDAC1 (0.49) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL9558902 0.89 HDAC1 (0.51) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL7821080 0.89 CDC25A (0.42) MMP2PDE4B
SCHEMBL7832551 0.89 HDAC1 (0.48) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL7828948 0.88 TBXAS1 (0.43) MMP2PDE4B
SCHEMBL7820846 0.88 TNF (0.39) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL7821185 0.88 CNR2 (0.40) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL7832545 0.87 HDAC2 (0.42) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL7833277 0.87 HDAC2 (0.43) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL7832731 0.86 HDAC1 (0.47) HDAC1HDAC2HDAC8HDAC3HDAC4

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-0737671-B1 Aromatic hydroxamic acid compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-12 EP claimed
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 claimed
EP-0737671-A2 Aromatic hydroxamic acid compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1996-10-16 EP claimed
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