SCHEMBL3312925

SCHEMBL3312925

Oc1cccc(CCCCCCCC=CCCCc2ccccc2)c1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CBS P35520 1/20 0.62
OPRK1 P41145 5/20 0.54
TRPV1 Q8NER1 1/20 0.52
MGLL Q99685 1/20 0.51
OPRM1 P35372 4/20 0.50
OPRD1 P41143 4/20 0.50
DRD2 P14416 2/20 0.50
DRD3 P35462 2/20 0.50
HDAC6 Q9UBN7 1/20 0.50
IGF1R P08069 1/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL3312922 1.00 CBS (0.62) CBSOPRK1TRPV1MGLLOPRM1
SCHEMBL5542136 0.88 OPRK1 (0.67) OPRK1MGLLOPRM1OPRD1DRD2
SCHEMBL5537554 0.88 OPRK1 (0.67) OPRK1MGLLOPRM1OPRD1DRD2
SCHEMBL28352345 0.88 OPRK1 (0.67) OPRK1MGLLOPRM1OPRD1DRD2
SCHEMBL5544469 0.86 OPRK1 (0.69) OPRK1MGLLOPRM1OPRD1DRD2
SCHEMBL22986526 0.86 CBS (0.56) CBSOPRK1TRPV1MGLLOPRM1
Cardonol 13 SCHEMBL20567798 0.86 CBS (0.56) CBSMGLLDRD2DRD3HDAC6
SCHEMBL22986544 0.86 CBS (0.56) CBSMGLLDRD2DRD3HDAC6
SCHEMBL9630476 0.86 PPARA (0.60) CBSOPRK1OPRM1OPRD1DRD2
SCHEMBL2688783 0.86 PPARA (0.60) CBSOPRK1OPRM1OPRD1DRD2

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-20100098788-A1 Extracts of Curcuma and Methods of Use Thereof HERBALSCIENCE GROUP, LLC 2010-04-22 US disclosed