SCHEMBL6625876

SCHEMBL6625876

CC(C)(C)OC(=O)NC1CCCCC1C(=O)NC1CCCN(S(=O)(=O)c2ccccn2)CC1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
GAA P10253 2/20 0.37
BTK Q06187 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 2/20 0.37
PKM P14618 1/20 0.37
CCR6 P51684 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 2/20 0.36
ADRB2 P07550 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36

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
SCHEMBL5105404 0.93 ALOX5AP (0.42) ALOX5APFEN1GAABTKSMN1; SMN2
SCHEMBL14131623 0.93 ALOX5AP (0.42) ALOX5APFEN1GAABTKSMN1; SMN2
SCHEMBL6835425 0.81 ALOX5AP (0.36) ALOX5APFEN1GAABTKSMN1; SMN2
SCHEMBL5096561 0.80 CTSK (0.44) CTSLCTSSCTSK
SCHEMBL5096565 0.80 CTSK (0.44) CTSLCTSSCTSK
SCHEMBL6740606 0.80 CTSK (0.52) KMT2ACTSLCTSSCTSK
SCHEMBL6740612 0.80 CTSK (0.52) KMT2ACTSLCTSSCTSK
SCHEMBL5093198 0.80 MMP2 (0.43) CTSLCTSSCTSK
SCHEMBL6806160 0.80 CTSL (0.49) CTSLCTSSCTSK
SCHEMBL6806158 0.80 CTSL (0.49) CTSLCTSSCTSK

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
EP-1392657-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-03-10 EP disclosed
EP-1392657-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2004-03-03 EP disclosed
WO-2003053331-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-07-03 WO disclosed