SCHEMBL15463517

SCHEMBL15463517

Cc1cc(C)c2c(CCC(=O)O)c(OC(=O)O)[nH]c2c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 11/20 0.66
KDM4E B2RXH2 2/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
EGFR P00533 2/20 0.42
FBP1 P09467 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
FFAR1 O14842 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
APEX1 P27695 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
SCHEMBL14740305 0.80 GPR17 (1.00) GPR17KDM4EPOLBMAPTFBP1
SCHEMBL15463467 0.76 GPR17 (0.66) GPR17EGFRFBP1FFAR1
SCHEMBL15463521 0.76 GPR17 (0.66) GPR17KDM4EFBP1ALDH1A1HPGD
SCHEMBL15463511 0.76 GPR17 (0.66) GPR17FBP1HPGD
SCHEMBL15463476 0.76 GPR17 (0.66) GPR17FBP1
SCHEMBL15463559 0.73 GPR17 (0.69) GPR17KDM4EEGFRFBP1FFAR1
SCHEMBL15463544 0.72 GPR17 (0.46) GPR17FBP1
SCHEMBL14988768 0.71 NPSR1 (0.57) GPR17KDM4EPOLBMAPTEGFR
SCHEMBL29255722 0.70 KDM4E (1.00) GPR17KDM4EPOLBMAPTALDH1A1
SCHEMBL15463507 0.68 GPR17 (0.66) GPR17EGFR

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