SCHEMBL6558599

SCHEMBL6558599

CCS(=O)(=O)NC1CC(C)(C)Oc2cc(OC)c(OC)cc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
TLR3 O15455 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MALT1 Q9UDY8 1/20 0.34
TRPV1 Q8NER1 4/20 0.33
IDO1 P14902 1/20 0.33
HIF1A Q16665 4/20 0.32
EPAS1 Q99814 4/20 0.32
SIRT2 Q8IXJ6 2/20 0.32

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
SCHEMBL6560820 0.83 KCNA5 (0.36) TRPV1SIRT2
SCHEMBL6560829 0.83 MAPT (0.41) KDM4ESMN1; SMN2LMNAMALT1TRPV1
SCHEMBL6559382 0.83 MAPT (0.45) SMN1; SMN2LMNAMALT1TRPV1IDO1
SCHEMBL6558621 0.82 TRPV1 (0.37) TRPV1SIRT2
SCHEMBL6558641 0.79 TRPV1 (0.39) TRPV1SIRT2
SCHEMBL6558692 0.78 TRPV1 (0.40) TRPV1
SCHEMBL6559931 0.78 KCNA5 (0.44) KDM4ESMN1; SMN2LMNAHPGDTRPV1
SCHEMBL6559509 0.78 TRPV1 (0.45) LMNATRPV1
SCHEMBL6560806 0.78 KCNA5 (0.44) TRPV1SIRT2
SCHEMBL6559589 0.78 TRPV1 (0.52) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807629-B1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them AVENTIS PHARMA GMBH (DE) 2004-03-03 EP disclosed
US-6191164-B1 POTASSIUM CHANNEL MODULATORS; ANTIULCER AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 2001-02-20 US disclosed
EP-0807629-A1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-19 EP disclosed