SCHEMBL7975877

SCHEMBL7975877

COc1ccc(CC(NC(=O)COc2ccccc2)C(=O)NNc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 11/20 0.63
HDAC3 O15379 4/20 0.63
HDAC4 P56524 4/20 0.63
HDAC1 Q13547 4/20 0.63
HDAC2 Q92769 4/20 0.63
HDAC7 Q8WUI4 3/20 0.63
HDAC10 Q969S8 3/20 0.63
HDAC11 Q96DB2 3/20 0.63
HDAC6 Q9UBN7 3/20 0.63
HDAC9 Q9UKV0 3/20 0.63
HDAC5 Q9UQL6 3/20 0.63
GPR34 Q9UPC5 4/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.53
PTPN1 P18031 1/20 0.52
HPGD P15428 1/20 0.51
NPC1 O15118 1/20 0.51

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
SCHEMBL7973319 0.91 HDAC8 (0.58) HDAC8HDAC3HDAC4HDAC1HDAC2
SCHEMBL8119279 0.86 HDAC8 (0.58) HDAC8HDAC3HDAC4HDAC1HDAC2
SCHEMBL7969746 0.86 HDAC8 (0.66) HDAC8HDAC3HDAC4HDAC1HDAC2
SCHEMBL7960080 0.83 HDAC8 (0.56) HDAC8HDAC3HDAC4HDAC1HDAC2
SCHEMBL7970037 0.81 HDAC8 (0.65) HDAC8HDAC3HDAC4HDAC1HDAC2
SCHEMBL7970018 0.80 CTSL (0.56) HDAC8HDAC3HDAC4HDAC1HDAC2
SCHEMBL21422370 0.80 HDAC8 (0.81) HDAC8HDAC3HDAC4HDAC1HDAC2
SCHEMBL7976180 0.80 GAA (0.57) HDAC8HDAC3HDAC4HDAC1HDAC2
SCHEMBL7971489 0.77 MMP2 (0.59) HDAC8HDAC3HDAC4HDAC1HDAC2
SCHEMBL7971077 0.76 MMP9 (0.53) ALDH1A1KMT2A

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