SCHEMBL7109500

SCHEMBL7109500

COCCOc1ccc(CCNC(=O)C=Cc2ccc(OC)cc2OC)cc1S(N)(=O)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LY96 Q9Y6Y9 1/20 0.58
MAPT P10636 7/20 0.52
ALDH1A1 P00352 3/20 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
LMNA P02545 2/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
HDAC8 Q9BY41 4/20 0.48
KDM4E B2RXH2 3/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
ACHE P22303 2/20 0.44
BCHE P06276 1/20 0.44
TYR P14679 1/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 1/20 0.44
OPRM1 P35372 1/20 0.44

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
SCHEMBL7109497 1.00 LY96 (0.58) LY96MAPTALDH1A1CA12CA1
SCHEMBL7108279 0.92 LY96 (0.65) LY96MAPTALDH1A1CA12CA1
SCHEMBL7108281 0.92 LY96 (0.65) LY96MAPTALDH1A1CA12CA1
SCHEMBL7655680 0.89 LY96 (0.55) LY96MAPTALDH1A1CA12CA1
SCHEMBL7655685 0.89 LY96 (0.55) LY96MAPTALDH1A1CA12CA1
SCHEMBL7667963 0.89 LY96 (0.57) LY96MAPTALDH1A1CA12CA1
SCHEMBL7667968 0.89 LY96 (0.57) LY96MAPTALDH1A1CA12CA1
SCHEMBL7110372 0.88 LY96 (0.56) LY96MAPTALDH1A1CA12CA1
SCHEMBL7110370 0.88 LY96 (0.56) LY96MAPTALDH1A1CA12CA1
SCHEMBL28740598 0.88 LY96 (0.52) LY96MAPTALDH1A1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183236-B1 CINNAMOYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AVENTIS PHARMA GMBH (DE) 2003-10-22 EP disclosed
EP-1183236-A1 CINNAMOYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES Aventis Pharma Deutschland GmbH (DE) 2002-03-06 EP disclosed
US-6350778-B1 CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-02-26 US disclosed
WO-2000071513-A1 CINNAMOYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-30 WO disclosed