SCHEMBL2534779

SCHEMBL2534779

CC(=Cc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1OCc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.53
ALOX5 P09917 5/20 0.53
PPARG P37231 7/20 0.48
PTGES O14684 1/20 0.48
PPARD Q03181 2/20 0.47
SERPINE1 P05121 3/20 0.45
MRGPRX4 Q96LA9 2/20 0.45
PTGER4 P35408 1/20 0.43
ERN1 O75460 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
SCHEMBL2532587 0.90 PSEN1 (0.52) PSEN1ALOX5PPARGPTGESPPARD
SCHEMBL2534584 0.83 ERN1 (0.50) PSEN1ALOX5PPARDSERPINE1MRGPRX4
SCHEMBL2532595 0.83 PTGER4 (0.55) PSEN1ALOX5PPARGPPARDSERPINE1
SCHEMBL2532594 0.83 PTGER4 (0.55) PSEN1ALOX5PPARGPPARDSERPINE1
SCHEMBL2537060 0.83 PTGER4 (0.55) PSEN1ALOX5PPARGPPARDSERPINE1
SCHEMBL2534034 0.82 HDAC8 (0.51) PSEN1ALOX5PPARDMRGPRX4PTGER4
SCHEMBL2539621 0.80 KDM4E (0.49) PSEN1ALOX5PPARDMRGPRX4ERN1
SCHEMBL2536635 0.80 PTGER4 (0.51) PSEN1ALOX5PPARGPPARDMRGPRX4
SCHEMBL2532399 0.80 PTGER4 (0.51) PSEN1ALOX5PPARGPPARDMRGPRX4
SCHEMBL2536639 0.80 PTGER4 (0.51) PSEN1ALOX5PPARGPPARDMRGPRX4

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