SCHEMBL7821071

SCHEMBL7821071

COc1ccc2ccccc2c1CCCCCCC(=O)NO

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.55
HDAC8 Q9BY41 5/20 0.55
HDAC6 Q9UBN7 5/20 0.55
HDAC3 O15379 3/20 0.55
HDAC4 P56524 3/20 0.55
HDAC7 Q8WUI4 3/20 0.55
HDAC2 Q92769 3/20 0.55
HDAC10 Q969S8 3/20 0.55
HDAC11 Q96DB2 3/20 0.55
HDAC9 Q9UKV0 3/20 0.55
HDAC5 Q9UQL6 3/20 0.55
NCEH1 Q6PIU2 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL7843025 0.82 HDAC1 (0.57) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL7735752 0.80 KMT2A (0.54) NCEH1MEN1KMT2A
SCHEMBL29743344 0.80 SLC6A4 (0.51) NCEH1MEN1KMT2A
SCHEMBL28010488 0.78 NCEH1 (0.56) NCEH1MEN1KMT2A
SCHEMBL8871823 0.78 MTNR1A (0.58) NCEH1
SCHEMBL3406179 0.77 KMT2A (0.53) NCEH1MEN1KMT2A
SCHEMBL30726485 0.77 KMT2A (0.53) NCEH1MEN1KMT2A
SCHEMBL9289234 0.77 NCEH1 (0.57) NCEH1MEN1KMT2A
SCHEMBL8708804 0.76 MTNR1A (0.61)
SCHEMBL10999687 0.76 SLC6A4 (0.62) NCEH1MEN1KMT2A

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