SCHEMBL15463521

SCHEMBL15463521

O=C(O)CCc1c(OC(=O)O)[nH]c2cc(I)cc(I)c12

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 19/20 0.66
FBP1 P09467 1/20 0.38
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL14739340 0.80 GPR17 (1.00) GPR17FBP1KDM4EALDH1A1
SCHEMBL15463512 0.79 GPR17 (0.66) GPR17KDM4EALDH1A1
SCHEMBL15463511 0.76 GPR17 (0.66) GPR17FBP1HPGD
SCHEMBL15463517 0.76 GPR17 (0.66) GPR17FBP1KDM4EALDH1A1HPGD
SCHEMBL15463476 0.76 GPR17 (0.66) GPR17FBP1
SCHEMBL15463467 0.76 GPR17 (0.66) GPR17FBP1
SCHEMBL9637092 0.71 GPR17 (0.57) GPR17
SCHEMBL15463544 0.70 GPR17 (0.46) GPR17FBP1
SCHEMBL15463507 0.68 GPR17 (0.66) GPR17
SCHEMBL15463450 0.68 GPR17 (0.66) GPR17

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-2567698-B1 GPR 17 agonists and screening assay UNIV BONN (DE) 2014-02-12 EP claimed