SCHEMBL9202082

SCHEMBL9202082

Cc1c(C)c2c(c(C)c1O)CC(CCN1CCN(C)CC1)O2

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.39
▸ CASP4 P49662 1/20 0.39
▸ CASP5 P51878 1/20 0.39
▸ ALOX5 P09917 4/20 0.32
▸ HTR7 P34969 3/20 0.32
▸ HRH4 Q9H3N8 1/20 0.30
▸ HRH3 Q9Y5N1 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL9202088 1.00 CASP1 (0.39) CASP1CASP4CASP5ALOX5HTR7
Hydrochloric Acid SCHEMBL9208649 0.87 CASP1 (0.36) CASP1CASP4CASP5ALOX5HTR7
SCHEMBL9210232 0.78 ALOX5 (0.38) CASP1CASP4CASP5ALOX5
SCHEMBL8598222 0.78 ALOX5 (0.47) CASP1CASP4CASP5ALOX5
SCHEMBL9210238 0.78 ALOX5 (0.38) CASP1CASP4CASP5ALOX5
SCHEMBL9201751 0.77 ALOX5 (0.36) CASP1CASP4CASP5ALOX5
SCHEMBL9201759 0.77 ALOX5 (0.36) CASP1CASP4CASP5ALOX5
Hydrochloric Acid SCHEMBL9203276 0.76 ALOX5 (0.36) CASP1CASP4CASP5ALOX5
Hydrochloric Acid SCHEMBL9203281 0.76 ALOX5 (0.36) CASP1CASP4CASP5ALOX5
SCHEMBL9203503 0.75 ALOX5 (0.44) CASP1CASP4CASP5ALOX5

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 1 patent. 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
Send feedback