SCHEMBL7657277

SCHEMBL7657277

COc1ccc(C=CC(=O)NCCc2ccc(Oc3ccccc3)c(S(N)(=O)=O)c2)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LY96 Q9Y6Y9 1/20 0.58
LMNA P02545 2/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
MAPT P10636 7/20 0.52
ALDH1A1 P00352 4/20 0.50
ACHE P22303 3/20 0.50
BCHE P06276 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 1/20 0.48
ALOX5 P09917 1/20 0.48
PKM P14618 1/20 0.47
KMT2A Q03164 2/20 0.47
TYR P14679 1/20 0.46

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
SCHEMBL7657276 1.00 LY96 (0.58) LY96LMNAHPGDHTTMAPT
SCHEMBL7108281 0.92 LY96 (0.65) LY96LMNAHPGDHTTMAPT
SCHEMBL7108279 0.92 LY96 (0.65) LY96LMNAHPGDHTTMAPT
SCHEMBL7110370 0.90 LY96 (0.56) LY96LMNAHPGDHTTMAPT
SCHEMBL7110372 0.90 LY96 (0.56) LY96LMNAHPGDHTTMAPT
SCHEMBL7115605 0.88 LY96 (0.58) LY96LMNAHPGDHTTMAPT
SCHEMBL7115603 0.88 LY96 (0.58) LY96LMNAHPGDHTTMAPT
SCHEMBL7107471 0.86 LY96 (0.52) LY96LMNAHPGDHTTMAPT
SCHEMBL7107467 0.86 LY96 (0.52) LY96LMNAHPGDHTTMAPT
SCHEMBL7109500 0.86 LY96 (0.58) LY96LMNAHPGDHTTMAPT

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-6350778-B1 CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-02-26 US disclosed