SCHEMBL15463512

SCHEMBL15463512

O=C(O)CCc1c(OC(=O)O)[nH]c2cc(I)ccc12

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 13/20 0.66
EGFR P00533 2/20 0.45
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SRC P12931 1/20 0.40

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
SCHEMBL15463507 0.84 GPR17 (0.66) GPR17EGFR
SCHEMBL15463450 0.84 GPR17 (0.66) GPR17EGFR
SCHEMBL15463529 0.82 GPR17 (0.67) GPR17EGFRKDM4EALDH1A1SRC
SCHEMBL14739204 0.80 GPR17 (1.00) GPR17KDM4EALDH1A1
SCHEMBL15463521 0.79 GPR17 (0.66) GPR17KDM4EALDH1A1
SCHEMBL15463476 0.68 GPR17 (0.66) GPR17
SCHEMBL15463467 0.68 GPR17 (0.66) GPR17EGFRSRC
SCHEMBL15463511 0.68 GPR17 (0.66) GPR17
SCHEMBL15463517 0.68 GPR17 (0.66) GPR17EGFRKDM4EALDH1A1
SCHEMBL15463559 0.68 GPR17 (0.69) GPR17EGFRKDM4EALDH1A1SRC

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