SCHEMBL5581691

SCHEMBL5581691

O=C(O)c1cccc(S(=O)(=O)c2ccc(S(=O)(=O)c3cccc(C(=O)O)c3)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.60
IL1RN P18510 1/20 0.60
F2 P00734 3/20 0.57
PRSS1 P07477 3/20 0.57
PRSS2 P07478 3/20 0.57
PRSS3 P35030 3/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CYP2C19 P33261 1/20 0.54
AKR1C3 P42330 2/20 0.53
ALDH1A1 P00352 1/20 0.53
AKR1C1 Q04828 1/20 0.53
MEP1B Q16820 1/20 0.51
CA12 O43570 1/20 0.50
CA6 P23280 1/20 0.50
CA9 Q16790 1/20 0.50
APEX1 P27695 1/20 0.50
KDM4E B2RXH2 1/20 0.50
TSHR P16473 1/20 0.50
PTK2B Q14289 1/20 0.50

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
SCHEMBL2746739 0.96 MAPT (0.57) MAPTIL1RNF2PRSS1PRSS2
SCHEMBL30307439 0.96 MAPT (0.57) MAPTIL1RNF2PRSS1PRSS2
SCHEMBL1000532 0.96 MAPT (0.60) MAPTIL1RNF2PRSS1PRSS2
SCHEMBL2405304 0.96 F2 (0.61) MAPTIL1RNF2PRSS1PRSS2
SCHEMBL29964265 0.96 F2 (0.61) MAPTIL1RNF2PRSS1PRSS2
SCHEMBL999837 0.91 CXCR2 (0.57) MAPTIL1RNF2PRSS1PRSS2
SCHEMBL6865201 0.91 PRMT1 (0.55) MAPTIL1RNF2PRSS1PRSS2
Isophthalic Acid SCHEMBL11663604 0.88 CA1 (0.57) MAPTIL1RNF2PRSS1PRSS2
SCHEMBL464948 0.88 APEX1 (0.61) MAPTIL1RNF2PRSS1PRSS2
SCHEMBL3160502 0.84 HTR2A (0.62) MAPTIL1RNMEP1B

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
US-20070148480-A1 Laminate TEIJIN LIMITED (JP) 2007-06-28 US disclosed
EP-1698460-A1 MULTILAYER BODY TEIJIN LIMITED (JP) 2006-09-06 EP disclosed
US-20060134407-A1 Adhesive sheet and layered product TEIJIN LIMITED (JP) 2006-06-22 US disclosed
EP-1589086-A1 ADHESIVE SHEET AND LAYERED PRODUCT TEIJIN LIMITED (JP) 2005-10-26 EP disclosed