SCHEMBL15463559

SCHEMBL15463559

O=C(O)CCc1c(OC(=O)O)[nH]c2cc(-c3ccccc3)cc(-c3ccccc3)c12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 8/20 0.69
PRKAG1 P54619 2/20 0.40
PRKAA2 P54646 2/20 0.40
PRKAB1 Q9Y478 2/20 0.40
FBP1 P09467 3/20 0.39
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
FFAR1 O14842 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HSD17B10 Q99714 1/20 0.37
EGFR P00533 1/20 0.37
SRC P12931 1/20 0.37
PPARG P37231 1/20 0.37
PTPN1 P18031 1/20 0.36

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
SCHEMBL14739748 0.81 GPR17 (1.00) GPR17FBP1KDM4EALDH1A1
SCHEMBL15463529 0.81 GPR17 (0.67) GPR17FFAR1KDM4EALDH1A1EGFR
SCHEMBL15463511 0.75 GPR17 (0.66) GPR17FBP1CYP1A2CYP2C9
SCHEMBL15463476 0.73 GPR17 (0.66) GPR17FBP1
SCHEMBL15463467 0.73 GPR17 (0.66) GPR17FBP1FFAR1FFAR4EGFR
SCHEMBL15463517 0.73 GPR17 (0.66) GPR17FBP1FFAR1KDM4EALDH1A1
SCHEMBL15463521 0.73 GPR17 (0.66) GPR17FBP1KDM4EALDH1A1HSD17B10
SCHEMBL14739900 0.70 GPR17 (0.62) GPR17ALDH1A1CYP1A2CYP2C9PTPN1
SCHEMBL15463507 0.68 GPR17 (0.66) GPR17EGFR
SCHEMBL15463512 0.68 GPR17 (0.66) GPR17KDM4EALDH1A1EGFRSRC

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