SCHEMBL4551344

SCHEMBL4551344

[Ni]C1=COc2ccccc2C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
OXTR P30559 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ESR2 Q92731 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
SCHEMBL295062 0.76 MAOA (0.50) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL2013569 0.74 MAOA (0.48) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL295061 0.74 MAOA (0.48) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL224499 0.74 MAOA (0.48) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL276642 0.74 MAOA (0.48) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL18280613 0.74 MAOA (0.48) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL1707855 0.74 MAOA (0.48) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL30714851 0.74 MAOA (0.48) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL230114 0.71 ESR2 (0.50) MAOAMAOBOXTRABCG2GAA
SCHEMBL2006178 0.69 MAOA (0.43) MAOAMAOBCYP1A2

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
EP-2133618-B1 METHOD FOR RESTORING A PIPELINE AND A PIPELINE ABUEV ALEXZANDER GEBEKOVICH (RU) 2013-04-17 EP disclosed
EP-2133618-A1 METHOD FOR RESTORING A PIPELINE AND A PIPELINE Abuev, Alexzander Gebekovich (RU) 2009-12-16 EP disclosed