SCHEMBL8536285

SCHEMBL8536285

Cc1c(C)c2c(c(C)c1O)C(CO)C(C)(C)O2

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.37
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
NR1I2 O75469 1/20 0.32

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
Alcohol SCHEMBL8867372 0.98 ALOX5 (0.36) ALOX5PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL8534356 0.86 ALOX5 (0.33) ALOX5PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL8534407 0.86 ALOX5 (0.33) ALOX5PTGS1PTGS2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL8931175 0.84 ALOX5 (0.33) ALOX5PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL8931167 0.81 PTGS1 (0.31) ALOX5PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL976105 0.80
Alcohol SCHEMBL8867586 0.79
SCHEMBL8534319 0.78 MAPT (0.31) NR1I2
Hydrochloric Acid SCHEMBL8931178 0.77 MAPT (0.30) NR1I2
SCHEMBL5671986 0.77 PTGS1 (0.31) ALOX5PTGS1PTGS2CYP1A2CYP3A4

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 11 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
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 claimed
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 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