SCHEMBL8537504

SCHEMBL8537504

CC(=O)Oc1c(C)c(C)c2c(c1C)C(C(=O)O)C(C)(C)O2

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TTPA P49638 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE4A P27815 1/20 0.36
PDE3A Q14432 1/20 0.36
ALOX5 P09917 1/20 0.34

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
SCHEMBL8868305 0.85 PTGS1 (0.30)
SCHEMBL8931169 0.81 TTPA (0.36) TTPAMEN1KMT2APDE4APDE3A
SCHEMBL8534827 0.79 TTPA (0.39) TTPAMEN1KMT2APDE4APDE3A
SCHEMBL9285775 0.79 TTPA (0.36) TTPAMEN1KMT2APDE4APDE3A
SCHEMBL5674934 0.79 PTGS1 (0.42) ALOX5
SCHEMBL8532757 0.79 PTGS1 (0.42) ALOX5
SCHEMBL5674769 0.79 PTGS1 (0.42) ALOX5
SCHEMBL8537128 0.76 MAPT (0.42) MEN1KMT2A
SCHEMBL10473129 0.75 TTPA (0.38) TTPAMEN1KMT2APDE4APDE3A
SCHEMBL9088900 0.75 TTPA (0.36) TTPAMEN1KMT2APDE4APDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0635009-B1 NOVEL DERIVATIVES OF 2,3-DIHYDRO-2,2,4,6,7-PENTAALKYL-5-BENZOFURANOLS MERRELL PHARMA INC (US) 1997-09-17 EP claimed
CN-1177962-A Process for preparing 2, 3-dihydro-benzofuranol derivatives HOECHST MARION ROUSSEL INC (US) 1998-04-01 CN disclosed
US-5721233-A Derivatives of 2,3-dihydro benzofuranols MERRELL PHARMACEUTICALS INC. (US) 1998-02-24 US disclosed
EP-0813530-A1 NOVEL PROCESS FOR PREPARING 2,3-DIHYDRO-BENZOFURANOL DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1997-12-29 EP disclosed
US-5698696-A Process for preparing 2,3-dihydro-benzofuranol derivatives HOECHST MARION ROUSSEL, INC. (US) 1997-12-16 US disclosed
EP-0635009-B1 NOVEL DERIVATIVES OF 2,3-DIHYDRO-2,2,4,6,7-PENTAALKYL-5-BENZOFURANOLS MERRELL PHARMA INC (US) 1997-09-17 EP disclosed
WO-1996028437-A1 NOVEL PROCESS FOR PREPARING 2,3-DIHYDRO-BENZOFURANOL DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1996-09-19 WO disclosed
EP-0635009-A1 NOVEL DERIVATIVES OF 2,3-DIHYDRO-2,2,4,6,7-PENTAALKYL-5-BENZOFURANOLS. MERRELL DOW PHARMA (US) 1995-01-25 EP disclosed
WO-1993020057-A1 NOVEL DERIVATIVES OF 2,3-DIHYDRO-2,2,4,6,7-PENTAALKYL-5-BENZOFURANOLS MERRELL DOW PHARMACEUTICALS INC. (US) 1993-10-14 WO disclosed