SCHEMBL9158093

SCHEMBL9158093

ONCC1=Cc2ccc(OCc3ccccc3)cc2CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.54
S1PR3 Q99500 1/20 0.54
HRH3 Q9Y5N1 8/20 0.49
MAOB P27338 5/20 0.46
MAOA P21397 4/20 0.46
CYP2D6 P10635 3/20 0.44
KDM1A O60341 2/20 0.44
HRH1 P35367 1/20 0.44
ALOX5 P09917 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
MMP12 P39900 1/20 0.42
MMP14 P50281 1/20 0.42
MMP15 P51511 1/20 0.42
MMP16 P51512 1/20 0.42
MMP26 Q9NRE1 1/20 0.42

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
SCHEMBL9164097 0.90 HRH3 (0.49) S1PR1S1PR3HRH3MAOBMAOA
SCHEMBL11519620 0.78 HRH3 (0.55) HRH3MAOBMAOACYP2D6KDM1A
SCHEMBL30616511 0.78 MAOB (0.51) HRH3MAOBMAOACYP2D6KDM1A
SCHEMBL225661 0.78 MAOB (0.51) HRH3MAOBMAOACYP2D6KDM1A
SCHEMBL2443031 0.77 MAOA (0.48) HRH3MAOBMAOACYP2D6KDM1A
SCHEMBL8064409 0.77 MAOB (0.51) S1PR1S1PR3HRH3MAOBMAOA
SCHEMBL9165973 0.77 MAOA (0.51) S1PR1S1PR3HRH3MAOBMAOA
SCHEMBL9167051 0.77 ALOX5 (0.58) S1PR1S1PR3HRH3MAOBMAOA
SCHEMBL9159335 0.77 MAOA (0.45) HRH3MAOBMAOACYP2D6KDM1A
SCHEMBL9729866 0.77 ALOX5 (0.63) MAOBMAOAALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0408760-B1 NEW HYDROXYLAMINE DERIVATIVE FUJISAWA PHARMACEUTICAL CO (JP) 1995-03-15 EP disclosed