SCHEMBL7832115

SCHEMBL7832115

CC1=C(C(CCCCCC(=O)NOC(=O)c2ccccc2)c2ccccc2)C(=O)c2ccccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 7/20 0.40
HDAC1 Q13547 6/20 0.40
HDAC3 O15379 4/20 0.40
HDAC2 Q92769 4/20 0.40
HDAC6 Q9UBN7 4/20 0.40
HDAC4 P56524 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
APAF1 O14727 1/20 0.37
MITF O75030 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL7835266 0.99 HDAC3 (0.39) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL7829740 0.93 TBXA2R (0.39) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL7832307 0.93 HDAC8 (0.44) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL7820438 0.92 KMT2A (0.39) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL7828986 0.91 KMT2A (0.39) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL7833301 0.88 HDAC3 (0.39) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL7832718 0.88 HDAC3 (0.39) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL7821069 0.86 HDAC3 (0.38) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL7831219 0.86 HDAC2 (0.38) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL7832551 0.83 HDAC1 (0.48) HDAC8HDAC1HDAC3HDAC2HDAC6

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