SCHEMBL9023124

SCHEMBL9023124

COc1ccc(C(CCC(=O)O)n2c(C(=O)O)c(-c3cccc(C(O)O)c3)c3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 7/20 0.42
EDNRB P24530 2/20 0.37
FOLH1 Q04609 1/20 0.37
LCK P06239 1/20 0.37
PTGS2 P35354 1/20 0.37
PPARG P37231 1/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
PLA2G2A P14555 2/20 0.35
KEAP1 Q14145 1/20 0.35
KMT2A Q03164 2/20 0.35
CASR P41180 1/20 0.35

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
SCHEMBL9023540 0.78 EDNRB (0.54) EDNRAEDNRBPPARGPLA2G2A
SCHEMBL9423408 0.67 CNR2 (0.61) KMT2ACASR
SCHEMBL9023630 0.65 KDM4E (0.40) KDM4EGAAPLA2G2AKMT2A
SCHEMBL6857637 0.63 EDNRA (0.53) EDNRAEDNRBPPARGKDM4EKMT2A
SCHEMBL6807907 0.63 AOC3 (0.51) KDM4EGAAKMT2A
SCHEMBL6301200 0.61 MTNR1A (0.67) KMT2ACASR
SCHEMBL11436414 0.61 L3MBTL1 (0.62) CASR
SCHEMBL9690719 0.61 SLC6A9 (0.60) PPARG
SCHEMBL11436469 0.61 L3MBTL1 (0.62) CASR
SCHEMBL11436413 0.61 L3MBTL1 (0.62) CASR

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-0676959-A4 ENDOTHELIN RECEPTOR ANTAGONISTS. SMITHKLINE BEECHAM CORP (US) 1996-01-03 EP claimed
EP-0676959-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-18 EP claimed