SCHEMBL11528526

SCHEMBL11528526

N#CC1COc2ccccc2C1O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.50
LTB4R2 Q9NPC1 4/20 0.50
CYP3A4 P08684 1/20 0.41
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
DPP4 P27487 1/20 0.36
LTA4H P09960 2/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
SSTR4 P31391 1/20 0.34
PSMB8 P28062 1/20 0.33
PSMB5 P28074 1/20 0.33

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
SCHEMBL11527656 0.78 HCRTR2 (0.40) LTB4RLTB4R2MAOBDRD2DRD3
SCHEMBL1706738 0.76 LTB4R (0.62) LTB4RLTB4R2CYP3A4MAOAMAOB
SCHEMBL4524534 0.74 IMPDH2 (0.41) LTB4RLTB4R2MAOAMAOBLTA4H
SCHEMBL4119538 0.73 LTB4R (0.54) LTB4RLTB4R2CYP3A4MAOAMAOB
SCHEMBL20182779 0.73 LTB4R (0.54) LTB4RLTB4R2CYP3A4MAOAMAOB
SCHEMBL30256850 0.73 LTB4R (0.54) LTB4RLTB4R2CYP3A4MAOAMAOB
SCHEMBL14395468 0.73 LTB4R (0.54) LTB4RLTB4R2CYP3A4MAOAMAOB
SCHEMBL4119534 0.73 LTB4R (0.54) LTB4RLTB4R2CYP3A4MAOAMAOB
SCHEMBL4119536 0.73 LTB4R (0.54) LTB4RLTB4R2CYP3A4MAOAMAOB
Hydrochloric Acid SCHEMBL20179510 0.71 LTB4R (0.53) LTB4RLTB4R2CYP3A4MAOAMAOB

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
US-4178380-A LIPOGENSIS INHIBITORS SHELL OIL COMPANY (US) 1979-12-11 US disclosed