SCHEMBL6594125

SCHEMBL6594125

CNc1ccccc1OCCCC(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
PPARG P37231 4/20 0.49
CNR2 P34972 2/20 0.49
CNR1 P21554 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
THRB P10828 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.45
KMT2A Q03164 2/20 0.45
PPARA Q07869 2/20 0.44
APP P05067 1/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.44
LTA4H P09960 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
ADRB2 P07550 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL9033779 0.87 GAA (0.49) L3MBTL1THRBTDP1GAAKMT2A
SCHEMBL5318251 0.82 LMNA (0.65) MAPTPPARGCNR2CNR1L3MBTL1
SCHEMBL7369166 0.81 LTA4H (0.48) PPARGL3MBTL1THRBTDP1GAA
SCHEMBL13986558 0.81 MEN1 (0.58) MAPTPPARGCNR2CNR1L3MBTL1
SCHEMBL23189000 0.79 GAA (0.50) MAPTL3MBTL1THRBTDP1GAA
SCHEMBL9470142 0.79 MAPT (0.52) MAPTPPARGCNR2CNR1L3MBTL1
SCHEMBL13427166 0.79 CYP1A2 (0.57) MAPTPPARGCNR2CNR1L3MBTL1
SCHEMBL9469123 0.79 MAPT (0.52) MAPTPPARGCNR2CNR1L3MBTL1
SCHEMBL14314439 0.79 L3MBTL1 (0.58) MAPTPPARGCNR2CNR1L3MBTL1
SCHEMBL8148934 0.78 HDAC3 (0.56) MAPTPPARGGAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144393-B1 BENZOXAZOLE DERIVATIVES FOR USE AS INTEGRIN INHIBITORS ASTRAZENECA AB (SE) 2004-02-11 EP disclosed
EP-1144393-A3 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITOR AstraZeneca AB (SE) 2002-09-11 EP disclosed
US-6441012-B1 BENZOXAZOLE OR BENZTHIAZOLE DERIVATIVES FOR INHIBITING THE INTERACTION BETWEEN CELLULAR ADHESION MOLECULES AND/OR FIBRONECTIN AND THE INTERGRIN RECEPTOR ASTRAZENECA AB (SE) 2002-08-27 US disclosed
EP-1144393-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITOR AstraZeneca AB (SE) 2001-10-17 EP disclosed
EP-1133484-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS AstraZeneca AB (SE) 2001-09-19 EP disclosed
WO-2000005223-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA AB (SE) 2000-02-03 WO disclosed
WO-2000005224-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITOR ASTRAZENECA AB (SE) 2000-02-03 WO disclosed