SCHEMBL9209978

SCHEMBL9209978

CC(=O)OCC[C@@H]1Cc2c(C)c(O)c(C)c(C)c2O1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 5/20 0.34
▸ 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
▸ CASP1 P29466 1/20 0.31
▸ CASP4 P49662 1/20 0.31
▸ CASP5 P51878 1/20 0.31

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
SCHEMBL9209973 1.00 ALOX5 (0.34) ALOX5PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9207314 0.84 TTPA (0.39) ALOX5
SCHEMBL9207302 0.84 TTPA (0.39) ALOX5
SCHEMBL9209993 0.78 ALOX5 (0.36) ALOX5PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL8136061 0.78 ALOX5 (0.42) ALOX5PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9210153 0.78 ALOX5 (0.42) ALOX5PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL8598222 0.78 ALOX5 (0.47) ALOX5PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9210238 0.78 ALOX5 (0.38) ALOX5PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL8119248 0.77 ALOX5 (0.36) ALOX5PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9206633 0.76 PTPN1 (0.43) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0413668-B1 New 2,3-dihydro-5-oxy-4,6,7-trimethylbenzofuranes 2-(RS)-substitutes, useful as antioxidizing pharmaceutical products having mucoregolating and anti-ischemic properties FOSCAMA BIOMED CHIM FARMA (IT) 1995-12-06 — — EP disclosed
US-5114966-A Radical scavengers BIOMEDICA FOSCAMA INDUSTRIA CHIMICO-FARMACEUTICA S.P.A. (IT) 1992-05-19 — — US disclosed
EP-0413668-A2 New 2,3-dihydro-5-oxy-4,6,7-trimethylbenzofuranes 2-(RS)-substitutes, useful as antioxidizing pharmaceutical products having mucoregolating and anti-ischemic properties BIOMEDICA FOSCAMA INDUSTRIA CHIMICO-FARMACEUTICA S.P.A. (IT) 1991-02-20 — — EP disclosed
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