SCHEMBL11039079

SCHEMBL11039079

c1ccc2[nH]c(Cc3cccc4c3[nH]c3ccccc34)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.60
PCSK9 Q8NBP7 7/20 0.58
KIF11 P52732 2/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
CASR P41180 2/20 0.43

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
SCHEMBL17454530 0.84 AHR (0.67) AHRPCSK9LOXL2CASR
SCHEMBL11141346 0.82 KIF11 (0.57) AHRKIF11
SCHEMBL9405424 0.80 KIF11 (0.49) AHRPCSK9KIF11
SCHEMBL401081 0.76 LOXL2 (0.69) AHRPCSK9LOXL2
SCHEMBL29403791 0.76 LOXL2 (0.69) AHRPCSK9LOXL2
SCHEMBL28338445 0.76 LOXL2 (0.69) AHRPCSK9LOXL2
SCHEMBL5886042 0.76 KIF11 (0.55) KIF11
SCHEMBL29886525 0.75 AHR (1.00) AHRPCSK9LOXL2
SCHEMBL12852216 0.75 AHR (1.00) AHRPCSK9LOXL2
SCHEMBL7499115 0.74 PCSK9 (0.63) AHRPCSK9LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0024898-B1 SOLVENTS, SOLUTIONS, AND PRESSURE-SENSITIVE MARK-RECORDING SYSTEMS MONSANTO EUROPE S.A./N.V. (BE) 1984-06-27 EP disclosed
US-4335013-A COMPRISING A BLEND OF AN AROMATIC HYDROCARBON AND A DIESTER MONSANTO COMPANY (US) 1982-06-15 US disclosed
EP-0024898-A2 Solvents, solutions, and pressure-sensitive mark-recording systems MONSANTO EUROPE S.A./N.V. (BE) 1981-03-11 EP disclosed