SCHEMBL2533347

SCHEMBL2533347

COC(=O)c1ccc(Oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2C=C(C)C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.43
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
AURKA O14965 1/20 0.40
TPX2 Q9ULW0 1/20 0.40
FAAH O00519 1/20 0.39
EPHX2 P34913 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ABL1 P00519 4/20 0.38
EGFR P00533 1/20 0.38
IDH1 O75874 1/20 0.38
KCNH2 Q12809 1/20 0.37
LMNA P02545 1/20 0.37
IGF2BP2 Q9Y6M1 1/20 0.37

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
SCHEMBL2535478 0.86 SERPINE1 (0.45) SLC6A2SLC6A4AURKATPX2EPHX2
SCHEMBL12225947 0.86 ERN1 (0.56) ERN1SLC6A2SLC6A4AURKATPX2
SCHEMBL3863802 0.84 GAA (0.46) ERN1SLC6A2SLC6A4AURKATPX2
SCHEMBL3863808 0.84 GAA (0.46) ERN1SLC6A2SLC6A4AURKATPX2
SCHEMBL2533346 0.82 ERN1 (0.44) ERN1SLC6A2SLC6A4AURKATPX2
SCHEMBL2667009 0.79 NOTUM (0.45) ERN1SLC6A2SLC6A4AURKATPX2
SCHEMBL2534779 0.77 PSEN1 (0.53) ERN1MRGPRX4
SCHEMBL5094883 0.77 SLC6A2 (0.46) SLC6A2SLC6A4AURKATPX2FAAH
SCHEMBL14930553 0.76 CA1 (0.58) AURKATPX2FAAHEPHX2MRGPRX4
SCHEMBL2532587 0.74 PSEN1 (0.52) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044236-B2 Inhibitors against plasminogen activator inhibitor-1 (PAI-1); anticoagulants; 2-(aryl or aralkyloxy-)-5-(aryl)phenyl}acetic acid (or derivatives of propionic acid, propenoic acid, N-oxamic acid or 1H-tetrazol-5-yl); occlusion, stenosis; low molecular weight; gene expression inhibition INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2011-10-25 US disclosed