SCHEMBL7913261

SCHEMBL7913261

COC(=O)C(=O)C1CCc2cc(OCc3cncnc3)ccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
CYP24A1 Q07973 3/20 0.42
CYP19A1 P11511 2/20 0.42
CYP26A1 O43174 1/20 0.42
FAAH O00519 3/20 0.38
MAOA P21397 6/20 0.38
MAOB P27338 6/20 0.38
GPR84 Q9NQS5 2/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
CYP27A1 Q02318 1/20 0.36

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
SCHEMBL7911568 0.87 MAOB (0.52) ITGB3ITGA2BCYP24A1CYP26A1FAAH
SCHEMBL9621126 0.81 THRA (0.54) ITGB3ITGA2BCYP24A1CYP19A1CYP26A1
SCHEMBL19128297 0.72 CYP24A1 (0.51) CYP24A1CYP19A1CYP26A1CYP27A1
SCHEMBL7911591 0.71 MAOA (0.70) MAOAMAOB
SCHEMBL1814998 0.71 ACHE (0.38) CYP24A1CYP19A1CYP26A1CYP27A1
SCHEMBL5665208 0.70 MAOB (0.52) ITGB3ITGA2BCYP24A1CYP26A1FAAH
SCHEMBL17261698 0.70 TRPV1 (0.41) CYP24A1CYP19A1CYP26A1CYP27A1
SCHEMBL20572886 0.69 MAOB (0.54) ITGB3ITGA2BCYP24A1CYP26A1MAOA
SCHEMBL8192077 0.69 ACACB (0.48) ITGB3ITGA2BMAOAMAOB
SCHEMBL8192080 0.69 ACACB (0.48) ITGB3ITGA2BMAOAMAOB

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-6291485-B1 TREATMENT OF POST-PTCA RESTENOSIS TEIKOKU HORMONE MFG. CO., LTD. (JP) 2001-09-18 US disclosed
EP-1002797-A1 4,5-DIHYDRO- 1H]-BENZ g]INDAZOLE-3-CARBOXYLIC ACID DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 2000-05-24 EP disclosed