SCHEMBL8354879

SCHEMBL8354879

COc1c(C(=O)O)cc(S(C)(=O)=O)cc1C(C)CO

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
ACE2 Q9BYF1 2/20 0.39
KDM4E B2RXH2 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.36
ABCB11 O95342 1/20 0.35
MAPK1 P28482 1/20 0.34
MCL1 Q07820 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RCE1 Q9Y256 1/20 0.34
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL8358621 0.88 CA2 (0.39) LMNAKDM4ENPSR1HSD17B10POLB
SCHEMBL8358558 0.82 LMNA (0.45) LMNAACE2KDM4EPOLBMAPK1
SCHEMBL8088976 0.81 LMNA (0.32) LMNA
SCHEMBL8350665 0.81 LMNA (0.51) LMNAACE2MAPTALDH1A1PTGDR2
SCHEMBL8358390 0.76 ALDH1A1 (0.38) LMNAKDM4EHSD17B10MAPTALDH1A1
SCHEMBL8358401 0.75 ALDH1A1 (0.42) LMNAKDM4EHSD17B10MAPTALDH1A1
SCHEMBL8102925 0.74 LMNA (0.45) LMNAKDM4EHSD17B10POLBMAPK1
SCHEMBL8097729 0.66 SLC9A1 (0.30) LMNA
SCHEMBL8089448 0.65 LMNA (0.35) LMNAMAPTALDH1A1
SCHEMBL27263689 0.65 LMNA (0.56) LMNAKDM4EHSD17B10MAPK1TDP1

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
US-6001881-A Ortho-substituted benzoylguanidines, a process for their preparation, their use as a medicament or diagnostic agent, and a medicament comprising them HOECHST AKTIENGESELLSCHAFT (DE) 1999-12-14 US disclosed