SCHEMBL9210232

SCHEMBL9210232

Cc1c(C)c2c(c(C)c1O)CC(CCI)O2

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 9/20 0.38
▸ CASP1 P29466 1/20 0.34
▸ CASP4 P49662 1/20 0.34
▸ CASP5 P51878 1/20 0.34
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 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
SCHEMBL9210238 1.00 ALOX5 (0.38) ALOX5CASP1CASP4CASP5PTGS1
SCHEMBL8598222 0.87 ALOX5 (0.47) ALOX5CASP1CASP4CASP5PTGS1
SCHEMBL9201759 0.85 ALOX5 (0.36) ALOX5CASP1CASP4CASP5PTGS1
SCHEMBL9201751 0.85 ALOX5 (0.36) ALOX5CASP1CASP4CASP5PTGS1
Hydrochloric Acid SCHEMBL9203276 0.84 ALOX5 (0.36) ALOX5CASP1CASP4CASP5PTGS1
Hydrochloric Acid SCHEMBL9203281 0.84 ALOX5 (0.36) ALOX5CASP1CASP4CASP5PTGS1
SCHEMBL9203503 0.83 ALOX5 (0.44) ALOX5CASP1CASP4CASP5PTGS1
Hydrochloric Acid SCHEMBL9208686 0.81 ALOX5 (0.37) ALOX5CASP1CASP4CASP5
Hydrochloric Acid SCHEMBL9208692 0.81 ALOX5 (0.37) ALOX5CASP1CASP4CASP5
SCHEMBL6885035 0.81 TSHR (0.39) ALOX5CASP1CASP4CASP5PTGS1

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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