SCHEMBL11060851

SCHEMBL11060851

O=C(O)c1cccc(Oc2ccccc2Sc2ccccc2)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.47
HTT P42858 1/20 0.43
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
SLC6A9 P48067 1/20 0.41
KDM4E B2RXH2 4/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
NSD2 O96028 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 5/20 0.39
GLA P06280 1/20 0.39
BLM P54132 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 3/20 0.38
CA12 O43570 2/20 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
SCHEMBL1659924 0.90 SIRT1 (0.44) SIRT1HTTPOLBL3MBTL1SLC6A9
SCHEMBL5086008 0.85 POLB (0.48) SIRT1POLBL3MBTL1TDP1MAPK1
SCHEMBL29435080 0.82 SIRT1 (0.58) SIRT1POLBL3MBTL1KDM4EMAPT
SCHEMBL942508 0.82 SIRT1 (0.58) SIRT1POLBL3MBTL1KDM4EMAPT
SCHEMBL6003587 0.82 HTT (0.59) HTTKDM4ESMN1; SMN2MAPTTDP1
SCHEMBL143861 0.82 HTT (0.53) HTTKDM4EMAPTTDP1MAPK1
SCHEMBL29395127 0.82 HTT (0.53) HTTKDM4EMAPTTDP1MAPK1
SCHEMBL28260571 0.81 HTT (0.62) HTTKDM4EMAPTTDP1MAPK1
Water SCHEMBL7618236 0.81 HTT (0.52) HTTKDM4EMAPTTDP1MAPK1
SCHEMBL425870 0.79 CTNNB1 (0.42) HTTPOLBL3MBTL1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2553011-B1 POLYMER COMPOSITIONS COMPRISING CORE/SHELL PARTICLES SOLVAY (BE) 2014-12-31 EP disclosed
EP-2553011-A1 POLYMER COMPOSITIONS COMPRISING CORE/SHELL PARTICLES SOLVAY SA (BE) 2013-02-06 EP disclosed
WO-1984003895-A1 POLYETHERIMIDE-ACRYLATE COPOLYMER BLENDS GEN ELECTRIC (US) 1984-10-11 WO disclosed
WO-1984003893-A1 POLYETHERIMIDE-EPDM TERPOLYMER BLENDS GEN ELECTRIC (US) 1984-10-11 WO disclosed
WO-1984003899-A1 BLENDS OF POLYETHERIMIDES AND RUBBER MODIFIED VINYL AROMATIC POLYMERS GEN ELECTRIC (US) 1984-10-11 WO disclosed
WO-1983003422-A1 POLYETHERIMED-POLYPHENYLENE ETHER BLENDS GEN ELECTRIC (US) 1983-10-13 WO disclosed