SCHEMBL11411328

SCHEMBL11411328

O=C(O)Oc1c(C(=O)O)c(OC(=O)O)c2c(=O)c(OC(=O)O)c(-c3ccc(O)c(O)c3)oc2c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.46
▸ APP P05067 1/20 0.45
▸ POLH Q9Y253 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ APEX1 P27695 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ XDH P47989 1/20 0.44
▸ SLCO2B1 O94956 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ FBP1 P09467 1/20 0.43

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
SCHEMBL4165238 0.81 APP (0.46) EPHX2APPPOLHKDM4EMEN1
SCHEMBL4157261 0.76 SRC (0.44) EPHX2APPPOLHKDM4EMEN1
SCHEMBL4169452 0.73 ALOX5 (0.49) POLHALOX5
SCHEMBL4152750 0.73 ALOX5 (0.50) POLHALOX5
SCHEMBL4158688 0.73 ALOX5 (0.50) POLHALOX5
SCHEMBL4164333 0.73 ALOX5 (0.50) POLHALOX5
SCHEMBL4165925 0.73 ALOX5 (0.50) POLHALOX5
SCHEMBL4155997 0.73 ALOX5 (0.50) POLHALOX5
SCHEMBL16949822 0.68 APP (0.62) APPPOLHKDM4EMEN1MAPT
SCHEMBL23442263 0.67 EPHX2 (0.79) EPHX2APPPOLHKDM4EMEN1

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
JP-55111418-A — — None — — JP disclosed
JP-S55111418-A REMEDY FOR EYE DISEASE AND ITS PREPARATION SANTEN PHARMACEUT CO LTD 1980-08-28 — — JP disclosed
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