SCHEMBL6983315

SCHEMBL6983315

Cc1ccccc1NC(=O)Nc1ccc(OCC(=O)CC(C)CNCC(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
ITGB1 P05556 7/20 0.47
ITGA4 P13612 6/20 0.47
ITGB3 P05106 1/20 0.46
ITGAV P06756 1/20 0.46
ITGA5 P08648 1/20 0.46
GPR174 Q9BXC1 1/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
DDX3X O00571 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
PPARA Q07869 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL6973229 0.83 MAPT (0.59) MAPTRAB9ANPC1ITGB1ITGA4
SCHEMBL6975863 0.73 KMT2A (0.53) MAPTRAB9ANPC1ITGB1ITGA4
SCHEMBL6983832 0.70 RAB9A (0.58) MAPTRAB9ANPC1GPR174MEN1
SCHEMBL1305413 0.70 KMT2A (0.75) MAPTNPC1GPR174MAPK1MEN1
SCHEMBL17079626 0.69 RAB9A (0.73) MAPTRAB9ANPC1MAPK1MEN1
SCHEMBL6982577 0.69 KMT2A (0.66) MAPTRAB9ANPC1GPR174MAPK1
SCHEMBL6983400 0.69 MEN1 (0.70) MAPTRAB9ANPC1GPR174MAPK1
SCHEMBL812756 0.69 DDX3X (0.80) MAPTRAB9ANPC1ITGB1ITGB3
SCHEMBL6982728 0.69 DDX3X (0.58) MAPTRAB9ANPC1ITGB1ITGA4
SCHEMBL6794878 0.68 ITGB1 (0.62) MAPTRAB9ANPC1ITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1030835-B1 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA UK LTD (GB) 2003-01-22 EP disclosed
US-6344570-B1 ANTISTICKING AGENTS FOR CELLS ASTRAZENECA UK LIMITED (GB) 2002-02-05 US disclosed
EP-1030835-A2 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS AstraZeneca UK Limited (GB) 2000-08-30 EP disclosed
WO-1999024398-A2 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-05-20 WO disclosed