SCHEMBL7911568

SCHEMBL7911568

COC(=O)C(=O)C1CCc2cc(OCc3ccccc3)ccc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.52
MAOA P21397 5/20 0.52
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
NFKB1 P19838 1/20 0.47
GRM5 P41594 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP24A1 Q07973 4/20 0.47
CYP26A1 O43174 2/20 0.47
FAAH O00519 2/20 0.46
DRD2 P14416 2/20 0.45
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45

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
SCHEMBL7913261 0.87 ITGB3 (0.43) MAOBMAOAITGB3ITGA2BCYP24A1
SCHEMBL9621126 0.84 THRA (0.54) MAOBITGB3ITGA2BNPC1ALDH1A1
SCHEMBL5665208 0.83 MAOB (0.52) MAOBMAOAITGB3ITGA2BNPC1
SCHEMBL8192080 0.81 ACACB (0.48) MAOBMAOAITGB3ITGA2BHRH3
SCHEMBL8192077 0.81 ACACB (0.48) MAOBMAOAITGB3ITGA2BHRH3
SCHEMBL8199282 0.81 ACACB (0.48) MAOBMAOAITGB3ITGA2BHRH3
SCHEMBL31748950 0.77 MAOB (0.61) MAOBMAOAITGB3ITGA2BNPC1
SCHEMBL227895 0.77 MAOB (0.61) MAOBMAOAITGB3ITGA2BNPC1
SCHEMBL8200671 0.77 GRIN1 (0.48) MAOBMAOAITGB3ITGA2BNPC1
SCHEMBL8200304 0.75 ITGB3 (0.60) MAOBMAOAITGB3ITGA2BNPC1

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