SCHEMBL10716824

SCHEMBL10716824

C=CCOc1cc(S(=O)(=O)c2ccc(O)c(OCC=C)c2)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
GAA P10253 2/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 3/20 0.41
MAPK1 P28482 2/20 0.41
APP P05067 2/20 0.40
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
LIG1 P18858 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX5 P09917 1/20 0.38

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
SCHEMBL9618035 0.78 POLB (0.58) POLBCA12CA1CA2CA7
SCHEMBL4180320 0.78 ERN1 (0.49) POLBGAAMAPTTSHRMAPK1
SCHEMBL3342563 0.77 POLB (0.74) POLBCA12CA1CA2CA7
SCHEMBL3342379 0.77 POLB (0.57) POLBCA12CA1CA2CA7
SCHEMBL5879420 0.77 POLB (0.74) POLBCA12CA1CA2CA7
SCHEMBL6707110 0.77 MAOB (0.50) GAAMAPTTSHRMAPK1APP
SCHEMBL7258665 0.75 ALDH1A1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL22546607 0.75 CA12 (0.39) POLBCA12CA1CA2CA7
SCHEMBL11721524 0.75 ALDH1A1 (0.68) GAATSHRAPPPTGS2SLC5A1
SCHEMBL5210543 0.74 HPGD (0.58) GAATSHRMAPK1PTGS1LIG1

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-62053957-A None JP disclosed
JP-S6253957-A PRODUCTION OF BISPHENOL S DERIVATIVE NIKKA CHEM IND CO LTD 1987-03-09 JP disclosed