SCHEMBL6594680

SCHEMBL6594680

COc1cc(C#Cc2ccccc2)cc2c(O)cc(C(=O)O)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
GPR35 Q9HC97 1/20 0.45
HNF4A P41235 1/20 0.42
GRM5 P41594 1/20 0.40
KCNH2 Q12809 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
PDE10A Q9Y233 1/20 0.39
IGFBP3 P17936 2/20 0.39
EGFR P00533 1/20 0.38
HAO1 Q9UJM8 2/20 0.38
ERN1 O75460 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL6080585 0.91 ALDH1A1 (0.39) ALOX15HNF4AGRM5KCNH2PDGFRB
SCHEMBL6595262 0.81 ALOX15 (0.51) ALOX15GPR35PDE10AIGFBP3ALDH1A1
SCHEMBL6600048 0.81 GPR35 (0.41) ALOX15GPR35IGFBP3
SCHEMBL6080942 0.79 HAO1 (0.39) ALOX15GPR35HNF4AGRM5KCNH2
SCHEMBL6593629 0.78 ALOX5 (0.49) ALOX15GPR35PDE10AIGFBP3KDM4E
SCHEMBL6593859 0.78 GPR35 (0.56) ALOX15GPR35IGFBP3ALDH1A1KDM4E
SCHEMBL975858 0.78 ALOX15 (0.56) ALOX15GPR35PDE10AIGFBP3ALDH1A1
SCHEMBL6599593 0.78 GPR35 (0.52) ALOX15GPR35PDE10AIGFBP3ALDH1A1
SCHEMBL6594662 0.77 GPR35 (0.51) ALOX15GPR35PDE10AIGFBP3ALDH1A1
SCHEMBL6590987 0.77 GPR35 (0.51) ALOX15GPR35IGFBP3ERN1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO disclosed