SCHEMBL9214227

SCHEMBL9214227

COC(=O)CC1Cc2c(C)c(O)c(C)c(C)c2O1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 7/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SIRT2 Q8IXJ6 2/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP4 P49662 1/20 0.34
▸ CASP5 P51878 1/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ ALOX5 P09917 2/20 0.33
▸ ABCB1 P08183 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ GAA P10253 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
SCHEMBL29842394 0.84 TSHR (0.39) MIFPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL6885035 0.84 TSHR (0.39) MIFPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9210119 0.80 THRA (0.34) MIFHDAC6SIRT2BRD4ABCB1
SCHEMBL9210232 0.77 ALOX5 (0.38) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9210238 0.77 ALOX5 (0.38) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9203503 0.77 ALOX5 (0.44) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL8597257 0.77 ALOX5 (0.44) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL8652066 0.77 ALOX5 (0.36) MIFPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL28466912 0.76 SIRT2 (0.41) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9209973 0.75 ALOX5 (0.34) PTGS1PTGS2CYP1A2CYP3A4TSHR

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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