SCHEMBL15463529

SCHEMBL15463529

O=C(O)CCc1c(OC(=O)O)[nH]c2cc(-c3ccccc3)ccc12

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 11/20 0.67
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
EGFR P00533 2/20 0.44
SRC P12931 1/20 0.44
FFAR1 O14842 1/20 0.43
FEN1 P39748 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41

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
SCHEMBL15463450 0.82 GPR17 (0.66) GPR17EGFR
SCHEMBL15463507 0.82 GPR17 (0.66) GPR17EGFR
SCHEMBL15463512 0.82 GPR17 (0.66) GPR17KDM4EALDH1A1EGFRSRC
SCHEMBL18509728 0.81 GPR17 (0.72) GPR17KDM4EALDH1A1EGFRSRC
SCHEMBL14739168 0.81 GPR17 (1.00) GPR17KDM4EALDH1A1
SCHEMBL15463559 0.81 GPR17 (0.69) GPR17KDM4EALDH1A1EGFRSRC
SCHEMBL17044356 0.78 MCL1 (0.58)
SCHEMBL17044318 0.74 MCL1 (0.56)
SCHEMBL17044314 0.73 MCL1 (0.58)
SCHEMBL14739131 0.71 GPR17 (1.00) GPR17KDM4EALDH1A1

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