SCHEMBL7970037

SCHEMBL7970037

COc1ccc(CC(NC(=O)OCc2ccccc2)C(=O)NNc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.65
CTSL P07711 4/20 0.62
CTSS P25774 4/20 0.62
CTSK P43235 3/20 0.62
TACR1 P25103 2/20 0.60
F2 P00734 1/20 0.59
CTSB P07858 2/20 0.58
ATM Q13315 1/20 0.57
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
ALDH1A1 P00352 1/20 0.55
ALOX15 P16050 1/20 0.55
MMP1 P03956 3/20 0.53

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
SCHEMBL7970027 0.91 TACR1 (0.70) HDAC8CTSLCTSSCTSKTACR1
SCHEMBL7038484 0.90 HDAC8 (0.78) HDAC8CTSLCTSSCTSKF2
SCHEMBL10706786 0.90 HDAC8 (0.68) HDAC8CTSLCTSSCTSKTACR1
SCHEMBL8119279 0.87 HDAC8 (0.58) HDAC8HDAC3HDAC4HDAC1HDAC2
SCHEMBL14684392 0.86 HDAC8 (0.64) HDAC8CTSLCTSSCTSKTACR1
SCHEMBL4154649 0.86 HDAC8 (0.80) HDAC8CTSLCTSSCTSKF2
SCHEMBL7317573 0.86 HDAC8 (0.64) HDAC8CTSLCTSSCTSKTACR1
SCHEMBL7044299 0.86 ATM (0.67) HDAC8CTSLCTSSCTSKF2
SCHEMBL9716778 0.86 ATM (0.67) HDAC8CTSLCTSSCTSKF2
SCHEMBL9716776 0.86 ATM (0.67) HDAC8CTSLCTSSCTSKF2

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
CN-1260345-A Hydrazide compound, its preparing method and medicine compositions thereof ADIR ET COMPANGIE (FR) 2000-07-19 CN disclosed