SCHEMBL8205103

SCHEMBL8205103

C=C/C=C/c1ccc2c(c1)Oc1cc(/C=C/C=C)ccc1N2

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.40
MAOB P27338 1/20 0.31
CYP1A2 P05177 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HTR2B P41595 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
SCHEMBL8205105 1.00 ALOX5 (0.40) ALOX5MAOBCYP1A2HSD17B10HTR2B
SCHEMBL22134190 0.92 ALOX5 (0.52) ALOX5HTR2B
SCHEMBL22131483 0.82 ALOX5 (0.35) ALOX5
SCHEMBL8204765 0.81 ALOX5 (0.41) ALOX5HTR2B
SCHEMBL8205039 0.75 SNCA (0.41) CYP1A2
SCHEMBL8205041 0.75 SNCA (0.41) CYP1A2
SCHEMBL27344294 0.73 ALDH1A1 (0.47) ALOX5HSD17B10HTR2B
SCHEMBL30811558 0.73 ALDH1A1 (0.47) ALOX5HSD17B10HTR2B
SCHEMBL29108872 0.69 CYP3A4 (0.62) ALOX5MAOBCYP1A2HSD17B10
SCHEMBL22145068 0.67 ALOX5 (0.35) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6083651-A SOLUBLE IN POLYMERIC BINDERS TAKASAGO INTERNATIONAL CORPORATION (JP) 2000-07-04 US disclosed
US-5942615-A GOOD SOLUBILITY IN BINDER POLYMERS, SENSITIVITY, AND LOW RESIDUAL POTENTIAL TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-08-24 US disclosed