SCHEMBL3865764

SCHEMBL3865764

CCCCn1cc(C(=O)C(=O)O)c2cc(-c3ccc(Cl)cc3)ccc21.O=C(O)C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc12

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 10/20 0.68
SCN9A Q15858 1/20 0.47
IDO1 P14902 2/20 0.44
CNR2 P34972 3/20 0.43
THRB P10828 1/20 0.42
PPARD Q03181 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40

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
SCHEMBL3858076 0.89 SERPINE1 (0.85) SERPINE1SCN9AIDO1THRBPDE4A
SCHEMBL4750090 0.83 SERPINE1 (0.83) SERPINE1IDO1RXRARXRB
SCHEMBL3862674 0.83 CNR2 (0.54) SERPINE1CNR2
Tiplasinin SCHEMBL29448190 0.82 SERPINE1 (1.00) SERPINE1
Tiplasinin SCHEMBL3052065 0.82 SERPINE1 (1.00) SERPINE1
SCHEMBL4752947 0.81 SERPINE1 (1.00) SERPINE1IDO1RXRARXRB
SCHEMBL3868588 0.79 SERPINE1 (0.69) SERPINE1IDO1PPARD
SCHEMBL3959224 0.77 SERPINE1 (0.53) SERPINE1SCN9ACNR2
SCHEMBL4937574 0.77 SERPINE1 (0.83) SERPINE1IDO1PDE4APDE4BPDE4C
SCHEMBL3867557 0.76 SERPINE1 (0.55) SERPINE1SCN9ACNR2

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