SCHEMBL29953375

SCHEMBL29953375

OB(O)c1cccc(OCCc2ccncc2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.49
SLC2A1 P11166 6/20 0.48
ENPP2 Q13822 3/20 0.48
SLC2A4 P14672 2/20 0.46
SLC2A8 Q9NY64 1/20 0.46
POLB P06746 1/20 0.40
ROCK2 O75116 1/20 0.40
GRK2 P25098 1/20 0.40
F10 P00742 2/20 0.40
F2 P00734 1/20 0.39
FFAR1 O14842 1/20 0.39
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38

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
SCHEMBL257658 0.86 ENPP2 (0.55) ENPP2FFAR1LPLLIPG
SCHEMBL29795174 0.86 ENPP2 (0.55) ENPP2FFAR1LPLLIPG
SCHEMBL29953679 0.85 ENPP2 (0.49) SLC2A1ENPP2SLC2A4F2
SCHEMBL25233864 0.82 ENPP2 (0.51) SLC2A1ENPP2FFAR1
SCHEMBL31050995 0.82 ENPP2 (0.51) SLC2A1ENPP2FFAR1
SCHEMBL29957475 0.81 LTA4H (0.58) LTA4HSLC2A1ENPP2FFAR1LPL
SCHEMBL13097043 0.80 LTA4H (0.53) LTA4HSLC2A1SLC2A4SLC2A8FFAR1
SCHEMBL257853 0.79 ENPP2 (0.50) ENPP2FFAR1LPLLIPG
SCHEMBL29954619 0.78 ENPP2 (0.45) ENPP2
SCHEMBL12875452 0.77 F2 (0.62) LTA4HSLC2A1SLC2A4F2

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed