SCHEMBL7829923

SCHEMBL7829923

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.49
HDAC2 Q92769 10/20 0.49
HDAC8 Q9BY41 9/20 0.49
HDAC3 O15379 6/20 0.49
HDAC10 Q969S8 6/20 0.49
HDAC6 Q9UBN7 6/20 0.49
HDAC4 P56524 5/20 0.49
HDAC7 Q8WUI4 5/20 0.49
HDAC9 Q9UKV0 5/20 0.49
HDAC5 Q9UQL6 5/20 0.49
HDAC11 Q96DB2 4/20 0.49
BMP1 P13497 2/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 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
SCHEMBL7829454 0.99 HDAC1 (0.48) HDAC1HDAC2HDAC8HDAC3HDAC10
SCHEMBL9558902 0.90 HDAC1 (0.51) HDAC1HDAC2HDAC8HDAC3HDAC10
SCHEMBL7832551 0.90 HDAC1 (0.48) HDAC1HDAC2HDAC8HDAC3HDAC10
SCHEMBL7828948 0.89 TBXAS1 (0.43)
SCHEMBL7821080 0.88 CDC25A (0.42)
SCHEMBL7820846 0.87 TNF (0.39) HDAC1HDAC2HDAC8HDAC3HDAC10
SCHEMBL7821185 0.87 CNR2 (0.40) HDAC1HDAC2HDAC8HDAC3HDAC10
SCHEMBL7831395 0.86 CNR2 (0.38) HDAC1HDAC2HDAC8HDAC3HDAC10
SCHEMBL7820438 0.86 KMT2A (0.39) HDAC1HDAC2HDAC8HDAC3HDAC10
SCHEMBL7832545 0.86 HDAC2 (0.42) HDAC1HDAC2HDAC8HDAC3HDAC10

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