SCHEMBL4822262

SCHEMBL4822262

CC(C)(C)OC(=O)Cn1ccc2cc(-c3ccc(OC(F)(F)F)cc3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 4/20 0.45
HDAC6 Q9UBN7 2/20 0.44
TRPV1 Q8NER1 2/20 0.43
PPARD Q03181 6/20 0.41
PPARA Q07869 4/20 0.41
NTSR1 P30989 1/20 0.41
CACNA1H O95180 1/20 0.40
IDH1 O75874 1/20 0.40
SCN9A Q15858 1/20 0.40
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
TRPA1 O75762 1/20 0.39

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
SCHEMBL4820329 0.79 NTSR1 (0.47) HDAC6PPARDPPARANTSR1
SCHEMBL6029213 0.76 TRPV1 (0.41) TRPV1PPARDPPARACACNA1HTRPA1
SCHEMBL23810852 0.76 NTSR1 (0.51) HDAC6NTSR1
SCHEMBL13836584 0.76 NTSR1 (0.51) HDAC6PPARDPPARANTSR1
SCHEMBL5069199 0.75 PLA2G4A (0.55) HDAC6PPARDPPARA
SCHEMBL4943775 0.74 SCN9A (0.45) SERPINE1TRPV1SCN9A
SCHEMBL4940424 0.74 SERPINE1 (0.59) SERPINE1HDAC6TRPV1CACNA1HSCN9A
SCHEMBL19470070 0.74 PLA2G4A (0.43) HDAC6PPARDPPARA
SCHEMBL5017228 0.74 PTPN1 (0.46) TRPV1PPARDPPARA
SCHEMBL4943218 0.74 SERPINE1 (0.46) SERPINE1HDAC6CACNA1HSCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348351-B2 Substituted 3-alkyl and 3-arylalkyl 1H-indol-1yl acetic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2008-03-25 US disclosed
EP-1569899-B1 SUBSTITUTED 3-ALKYL- AND 3-ARYLALKYL-1H-INDOL-1-YL-ACETIC ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH CORP (US) 2006-06-28 EP disclosed
EP-1569899-A2 SUBSTITUTED 3-ALKYL AND 3-ARYLALKYL i 1H /i -INDOL-1-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) Wyeth (US) 2005-09-07 EP disclosed
WO-2004052853-A2 SUBSTITUTED 3-ALKYL AND 3-ARYLALKYL 1H-INDOL-1-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2004-06-24 WO disclosed
US-20040116488-A1 Substituted 3-alkyl and 3-arylalkyl 1H-indol-1-yl acetic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH 2004-06-17 US disclosed