SCHEMBL3744009

SCHEMBL3744009

CCc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)N2CCC(C(N)=O)CC2)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
UBE2N P61088 1/20 0.44
ITGB1 P05556 1/20 0.44
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44
CASP1 P29466 3/20 0.44
CASP3 P42574 3/20 0.44
CASP7 P55210 3/20 0.44
CASP6 P55212 3/20 0.44
CASP8 Q14790 3/20 0.44
YAP1 P46937 2/20 0.43
STAT3 P40763 1/20 0.41
KMT2A Q03164 1/20 0.41
PSMB11 A5LHX3 3/20 0.41
PSMA7 O14818 3/20 0.41
PSMB1 P20618 3/20 0.41
PSMA1 P25786 3/20 0.41
PSMA2 P25787 3/20 0.41
PSMA3 P25788 3/20 0.41
PSMA4 P25789 3/20 0.41

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
SCHEMBL22023402 1.00 MAPK1 (0.44) MAPK1UBE2NITGB1ITGA4ITGB7
SCHEMBL598356 0.92 MAPK1 (0.45) MAPK1UBE2NITGB1ITGA4ITGB7
SCHEMBL20815350 0.92 MAPK1 (0.45) MAPK1UBE2NITGB1ITGA4ITGB7
SCHEMBL6840497 0.92 MAPK1 (0.45) MAPK1UBE2NITGB1ITGA4ITGB7
SCHEMBL29371746 0.92 MAPK1 (0.45) MAPK1UBE2NITGB1ITGA4ITGB7
SCHEMBL23230085 0.92 MAPK1 (0.45) MAPK1UBE2NITGB1ITGA4ITGB7
SCHEMBL4648918 0.91 MAPK1 (0.44) MAPK1UBE2NITGB1ITGA4ITGB7
SCHEMBL6480786 0.91 MAPK1 (0.44) MAPK1UBE2NITGB1ITGA4ITGB7
SCHEMBL6480951 0.90 MAPK1 (0.47) MAPK1UBE2NITGB1ITGA4ITGB7
SCHEMBL6481282 0.89 ITGB1 (0.46) MAPK1UBE2NITGB1ITGA4ITGB7

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3662948-A1 A DISPENSING DEVICE GLAXO GROUP LIMITED (GB) 2020-06-10 EP disclosed
CN-101853424-B Actuation indicator for a dispensing device GLAXO GROUP LTD 2015-05-06 CN disclosed
US-8397714-B2 Dispensing device GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
EP-1922100-B1 AN INHALER GLAXO GROUP LTD (GB) 2012-11-07 EP disclosed
US-8251056-B2 Inhaler GLAXO GROUP LIMITED (GB) 2012-08-28 US disclosed
US-7832351-B2 Actuation indicator for a dispensing device GLAXO GROUP LIMITED (GB) 2010-11-16 US disclosed
EP-1516283-B9 ACTUATION INDICATOR FOR A DISPENSING DEVICE GLAXO GROUP LTD (GB) 2009-10-07 EP disclosed
US-20090229604-A1 AN INHALER GLAXO GROUP LIMITED (GB) 2009-09-17 US disclosed
US-20090178673-A1 Actuation Indicator for a Dispensing Device GLAXO GROUP LIMITED (GB) 2009-07-16 US disclosed
EP-2058754-A1 Actuation indicator for a dispensing device Glaxo Group Limited (GB) 2009-05-13 EP disclosed
EP-1922100-A1 AN INHALER GLAXO GROUP LIMITED (GB) 2008-05-21 EP disclosed
US-20080105253-A1 Dispensing Device GLAXO GROUP LIMITED (GB) 2008-05-08 US disclosed
EP-1861145-A1 INHALATION DEVICES GLAXO GROUP LIMITED (GB) 2007-12-05 EP disclosed
EP-1858573-A1 INHALATION DEVICES GLAXO GROUP LIMITED (GB) 2007-11-28 EP disclosed
WO-2007031325-A1 A CLOSURE FOR A DISPENSING DEVICE GLAXO GROUP LIMITED (GB) 2007-03-22 WO disclosed
WO-2007028992-A1 AN INHALER GLAXO GROUP LIMITED (GB) 2007-03-15 WO disclosed
EP-1725285-A1 A DISPENSING DEVICE GLAXO GROUP LIMITED (GB) 2006-11-29 EP disclosed
WO-2006097745-A1 INHALATION DEVICES GLAXO GROUP LIMITED (GB) 2006-09-21 WO disclosed
WO-2006097747-A1 INHALATION DEVICES GLAXO GROUP LIMITED (GB) 2006-09-21 WO disclosed
WO-2005087299-A1 A DISPENSING DEVICE GLAXO GROUP LIMITED (GB) 2005-09-22 WO disclosed