SCHEMBL7971329

SCHEMBL7971329

COc1ccc(CC(NC(=O)OCc2ccccc2)C(=O)NNS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.58
F2 P00734 3/20 0.56
CTSL P07711 4/20 0.55
CTSS P25774 3/20 0.55
CTSK P43235 3/20 0.55
TACR1 P25103 2/20 0.55
CTSB P07858 1/20 0.54
PRSS1 P07477 2/20 0.53
PRSS2 P07478 2/20 0.53
PRSS3 P35030 2/20 0.53
ATM Q13315 1/20 0.53
BCL2 P10415 1/20 0.52
HTT P42858 1/20 0.51
ALDH1A1 P00352 1/20 0.51
ALOX15 P16050 1/20 0.51
CASP1 P29466 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
SCHEMBL8116506 0.88 HTT (0.56) BCL2HTT
SCHEMBL10706786 0.84 HDAC8 (0.68) HDAC8F2CTSLCTSSCTSK
SCHEMBL7970037 0.83 HDAC8 (0.65) HDAC8F2CTSLCTSSCTSK
SCHEMBL7960080 0.83 HDAC8 (0.56) HDAC8BCL2HTTALDH1A1
SCHEMBL14684392 0.83 HDAC8 (0.64) HDAC8F2CTSLCTSSCTSK
SCHEMBL7317573 0.83 HDAC8 (0.64) HDAC8F2CTSLCTSSCTSK
SCHEMBL8569421 0.82 ALDH1A1 (0.65) HDAC8F2CTSLCTSSCTSK
SCHEMBL9716778 0.82 ATM (0.67) HDAC8F2CTSLCTSSCTSK
SCHEMBL9716776 0.82 ATM (0.67) HDAC8F2CTSLCTSSCTSK
SCHEMBL2406036 0.82 ALDH1A1 (0.65) HDAC8F2CTSLCTSSCTSK

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