SCHEMBL5571633

SCHEMBL5571633

CCOC(=O)C(=O)c1cn(Cc2ccccc2)c2ccc(-c3ccc(C(C)(C)C)cc3)cc12

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 9/20 0.66
ICMT O60725 7/20 0.51
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 1/20 0.48
F2RL3 Q96RI0 1/20 0.47

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
SCHEMBL4939557 0.92 SERPINE1 (0.60) SERPINE1ICMTL3MBTL1F2RL3
SCHEMBL4942794 0.91 SERPINE1 (0.61) SERPINE1ICMTL3MBTL1MAPK1F2RL3
SCHEMBL3948740 0.88 SERPINE1 (0.82) SERPINE1ICMTL3MBTL1MAPK1
SCHEMBL4937637 0.87 SERPINE1 (0.80) SERPINE1ICMT
SCHEMBL3860766 0.87 SERPINE1 (0.56) SERPINE1ICMTL3MBTL1F2RL3
SCHEMBL4946406 0.87 ICMT (0.60) SERPINE1ICMTL3MBTL1MAPK1F2RL3
SCHEMBL3865483 0.86 SERPINE1 (0.79) SERPINE1ICMTL3MBTL1MAPK1F2RL3
SCHEMBL4940883 0.83 SERPINE1 (0.61) SERPINE1ICMTL3MBTL1MAPK1F2RL3
SCHEMBL3858380 0.83 SERPINE1 (0.86) SERPINE1ICMTL3MBTL1MAPK1
SCHEMBL4943358 0.83 SERPINE1 (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844771-A2 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) Wyeth (US) 2007-10-17 EP disclosed