SCHEMBL3857796

SCHEMBL3857796

O=C(O)C(=O)c1cn(Cc2ccccc2)c2c(-c3ccc(OC(F)(F)F)cc3)cccc12.O=C(O)C(=O)c1cn(Cc2ccccc2)c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc12

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 10/20 0.77
ICMT O60725 10/20 0.53

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
SCHEMBL4754975 0.88 SERPINE1 (1.00) SERPINE1
Tiplasinin SCHEMBL29448190 0.85 SERPINE1 (1.00) SERPINE1ICMT
Tiplasinin SCHEMBL3052065 0.85 SERPINE1 (1.00) SERPINE1ICMT
SCHEMBL4938598 0.85 SERPINE1 (0.71) SERPINE1ICMT
SCHEMBL4936670 0.81 SERPINE1 (1.00) SERPINE1ICMT
SCHEMBL3856116 0.78 SERPINE1 (0.76) SERPINE1ICMT
SCHEMBL26073737 0.78 SERPINE1 (0.85) SERPINE1ICMT
SCHEMBL3858076 0.78 SERPINE1 (0.85) SERPINE1ICMT
SCHEMBL3857510 0.78 SERPINE1 (1.00) SERPINE1ICMT
SCHEMBL4752947 0.77 SERPINE1 (1.00) SERPINE1ICMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010171-A2 INHIBITORS OF PAI-1 FOR TREATMENT OF MUSCULAR CONDITIONS Wyeth a Corporation of the State of Delaware (US) 2009-01-07 EP disclosed
WO-2007098278-A2 INHIBITORS OF PAI-1 FOR TREATMENT OF MUSCULAR CONDITIONS WYETH (US) 2007-08-30 WO disclosed