SCHEMBL8098185

SCHEMBL8098185

CC(NC(=O)C1CCCC1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.56
RECQL P46063 1/20 0.54
LMNA P02545 1/20 0.52
POLB P06746 2/20 0.52
TP53 P04637 1/20 0.49
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ENPP3 O14638 1/20 0.45
ENPP1 P22413 1/20 0.45

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
SCHEMBL28079639 0.75 ALDH1A1 (0.70) ALDH1A1ENPP3ENPP1
SCHEMBL21878824 0.73 USP30 (1.00) USP30
SCHEMBL21878826 0.73 USP30 (1.00) USP30
SCHEMBL9057935 0.73 RECQL (0.94) RECQLLMNAPOLBTP53ALDH1A1
SCHEMBL7436989 0.73 ADAMTS4 (0.42) ALDH1A1SMN1; SMN2
SCHEMBL517633 0.72 RECQL (0.91) RECQLLMNAPOLBTP53ALDH1A1
SCHEMBL21444578 0.72 RECQL (0.91) RECQLLMNAPOLBTP53ALDH1A1
SCHEMBL9927461 0.72 RECQL (0.91) RECQLLMNAPOLBTP53ALDH1A1
SCHEMBL12376703 0.71 TP53 (0.79) TP53ALDH1A1SMN1; SMN2
SCHEMBL945862 0.71 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792883-B1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-12-20 EP disclosed
EP-0792883-A1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-09-03 EP disclosed