SCHEMBL7969746

SCHEMBL7969746

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.66
HDAC3 O15379 3/20 0.66
HDAC4 P56524 3/20 0.66
HDAC1 Q13547 3/20 0.66
HDAC7 Q8WUI4 3/20 0.66
HDAC2 Q92769 3/20 0.66
HDAC10 Q969S8 3/20 0.66
HDAC11 Q96DB2 3/20 0.66
HDAC6 Q9UBN7 3/20 0.66
HDAC9 Q9UKV0 3/20 0.66
HDAC5 Q9UQL6 3/20 0.66
KMT2A Q03164 4/20 0.61
ALDH1A1 P00352 3/20 0.61
POLB P06746 2/20 0.61
CTDSP1 Q9GZU7 1/20 0.61
GAA P10253 2/20 0.55
MEN1 O00255 2/20 0.55
LMNA P02545 2/20 0.55
TACR1 P25103 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL7973309 0.91 TACR1 (0.65) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL7976180 0.91 GAA (0.57) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL8118400 0.87 TACR1 (0.61) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL7975877 0.86 HDAC8 (0.63) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL21422370 0.83 HDAC8 (0.81) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL7960080 0.82 HDAC8 (0.56) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL7971348 0.82 TACR1 (0.83) HDAC8ALDH1A1TACR1
SCHEMBL7972845 0.81 CYP3A4 (0.57) KMT2AGAAMEN1TACR1KDM4E
SCHEMBL7976158 0.77 MMP9 (0.58) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL7971563 0.77 KAT6A (0.53) POLBPTPN1

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