SCHEMBL7960080

SCHEMBL7960080

COc1ccc(CC(NC(=O)COc2ccccc2)C(=O)NNS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.56
HDAC3 O15379 3/20 0.56
HDAC4 P56524 3/20 0.56
HDAC1 Q13547 3/20 0.56
HDAC7 Q8WUI4 3/20 0.56
HDAC2 Q92769 3/20 0.56
HDAC10 Q969S8 3/20 0.56
HDAC11 Q96DB2 3/20 0.56
HDAC6 Q9UBN7 3/20 0.56
HDAC9 Q9UKV0 3/20 0.56
HDAC5 Q9UQL6 3/20 0.56
HTT P42858 1/20 0.53
KAT6A Q92794 3/20 0.51
GPR34 Q9UPC5 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
BCL2 P10415 1/20 0.49
MMP2 P08253 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
SCHEMBL8116506 0.87 HTT (0.56) HTTKAT6AKMT2ABCL2MMP2
SCHEMBL7975877 0.83 HDAC8 (0.63) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL7971329 0.83 HDAC8 (0.58) HDAC8HTTALDH1A1BCL2
SCHEMBL7969746 0.82 HDAC8 (0.66) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL7976180 0.76 GAA (0.57) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL21422370 0.74 HDAC8 (0.81) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL7973319 0.74 HDAC8 (0.58) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL7971489 0.74 MMP2 (0.59) HDAC8HDAC3HDAC4HDAC1HDAC2
SCHEMBL3562537 0.73 HDAC8 (0.61) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL12694145 0.73 HDAC8 (0.61) HDAC8HDAC3HDAC4HDAC1HDAC7

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
US-6271247-B1 BINDING TO NEUROPEPTIDE RECEPTORS ADIR ET COMPAGNIE (FR) 2001-08-07 US disclosed
US-6172108-B1 NEUROPEPTIDE Y RECEPTOR LIGANDS; TREATING PSYCHOLOGICAL, EATING, SLEEP, AND SEXUAL DISORDERS; HYPOTENSIVE, ANXIOLYTIC, ANTIDEPRESSANT, AND ANTIDIABETIC AGENTS ADIR ET COMPAGNIE (FR) 2001-01-09 US disclosed
EP-1010691-A2 Hydrazide derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-06-21 EP disclosed