SCHEMBL13891750

SCHEMBL13891750

O=c1ccc2c(C3CCC3)c3ccc(O)c(O)c3oc-2c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNG2 P59768 9/20 0.66
GNB1 P62873 9/20 0.66
ALOX15 P16050 5/20 0.66
HPGD P15428 4/20 0.66
HSD17B10 Q99714 4/20 0.66
HSPA1A P0DMV8 4/20 0.66
HSPA8 P11142 4/20 0.66
CYP2C9 P11712 3/20 0.66
CYP2C19 P33261 3/20 0.66
CYP1A2 P05177 2/20 0.66
HIF1A Q16665 2/20 0.66
TSHR P16473 1/20 0.66
GRK2 P25098 1/20 0.66
PHLPP2 Q6ZVD8 1/20 0.66
BRCA1 P38398 3/20 0.55
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 2/20 0.51
CDC25A P30304 1/20 0.51
CDC25B P30305 1/20 0.51
STAT6 P42226 1/20 0.51

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
SCHEMBL13891751 0.97 GNG2 (0.69) GNG2GNB1ALOX15HPGDHSD17B10
SCHEMBL13320772 0.96 GNG2 (0.68) GNG2GNB1ALOX15HPGDHSD17B10
SCHEMBL13891752 0.96 GNG2 (0.68) GNG2GNB1ALOX15HPGDHSD17B10
SCHEMBL13352371 0.96 GNG2 (0.68) GNG2GNB1ALOX15HPGDHSD17B10
SCHEMBL16556417 0.95 GNG2 (0.65) GNG2GNB1ALOX15HPGDHSD17B10
SCHEMBL2779461 0.88 GNG2 (0.67) GNG2GNB1ALOX15HPGDHSD17B10
SCHEMBL13891770 0.87 GNG2 (0.57) GNG2GNB1ALOX15HPGDHSD17B10
SCHEMBL2779115 0.87 GNG2 (0.66) GNG2GNB1ALOX15HPGDHSD17B10
SCHEMBL13891706 0.83 GNG2 (0.74) GNG2GNB1ALOX15HPGDHSD17B10
SCHEMBL13891733 0.82 GNG2 (0.72) GNG2GNB1ALOX15HPGDHSD17B10

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
WO-2009020677-A9 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING UNIV ROCHESTER (US) 2009-04-16 WO disclosed
WO-2009020677-A2 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING UNIVERSITY OF ROCHESTER (US) 2009-02-12 WO disclosed