SCHEMBL2954524

SCHEMBL2954524

NC(=O)ONC(Cc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.50
NPSR1 Q6W5P4 1/20 0.49
SRR Q9GZT4 2/20 0.49
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
PTGS1 P23219 1/20 0.49
XIAP P98170 1/20 0.49
SLC7A5 Q01650 1/20 0.49
FPR2 P25090 1/20 0.48
NAALAD2 Q9Y3Q0 2/20 0.48
CYP1A2 P05177 1/20 0.47
MMP2 P08253 4/20 0.47
MMP9 P14780 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ADAMTS4 O75173 1/20 0.47

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
SCHEMBL2954527 1.00 MME (0.50) MMENPSR1SRRALPIPKM
SCHEMBL5183173 0.84 MME (0.54) MMENPSR1FPR2NAALAD2CYP1A2
SCHEMBL22210991 0.82 MME (0.49) MMENPSR1FPR2NAALAD2CYP1A2
SCHEMBL7552896 0.81 MME (0.48) MMENPSR1SRRALPIPKM
SCHEMBL28170512 0.81 FPR2 (0.49) MMENPSR1FPR2NAALAD2MMP2
SCHEMBL29066555 0.81 FPR2 (0.49) MMENPSR1FPR2NAALAD2MMP2
SCHEMBL159007 0.80 SRR (0.45) SRRALPIPKMPTGS1XIAP
SCHEMBL21314242 0.80 MME (0.47) MMENPSR1FPR2NAALAD2CYP1A2
SCHEMBL21314241 0.80 MME (0.47) MMENPSR1FPR2NAALAD2CYP1A2
SCHEMBL4443855 0.80 MMP9 (0.49) MMENPSR1FPR2NAALAD2MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144384-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2001-10-17 EP claimed
WO-2000043369-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2000-07-27 WO claimed
EP-1000051-A1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-17 EP claimed
WO-1999006390-A1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO claimed
EP-2231185-A1 METHODS AND COMPOSITIONS FOR TREATING LIQUID TUMORS Elan Pharmaceuticals Inc. (US) 2010-09-29 EP disclosed
WO-2009075806-A1 METHODS AND COMPOSITIONS FOR TREATING LIQUID TUMORS ELAN PHARMACEUTICALS, INC. (US) 2009-06-18 WO disclosed
EP-1507533-A4 HETEROARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY ALPHA-4 INTEGRINS ELAN PHARM INC (US) 2007-05-23 EP disclosed
EP-1763361-A2 STEROID SPARING AGENTS AND THEIR USE Elan Pharmaceuticals, Inc. (US) 2007-03-21 EP disclosed
WO-2005097162-A2 STEROID SPARING AGENTS AND THEIR USE ELAN PHARMACEUTICALS, INC. (US) 2005-10-20 WO disclosed
EP-1507533-A2 HETEROARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY ALPHA-4 INTEGRINS Elan Pharmaceuticals, Inc. (US) 2005-02-23 EP disclosed
WO-2003099231-A2 HETEROARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY ALPHA-4 INTEGRINS ELAN PHARMACEUTICALS, INC. (US) 2003-12-04 WO disclosed
EP-1144364-A2 MULTICYCLIC COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2001-10-17 EP disclosed
WO-2000043354-A2 MULTICYCLIC COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2000-07-27 WO disclosed
US-4267331-A REDUCTIVE ALKYLATION OF A 5-PHENYL-2,3,4,4A,5,9B-HEXAHYDRO-1H-PYRIDO/4,3-B/INDOLE WITH A REDUCING AGENT AND A 2-HYDROXY-5- OR 6-PHENYLFURAN OR -PYRAN PFIZER INC. (US) 1981-05-12 US disclosed