SCHEMBL3472275

SCHEMBL3472275

CCOC(=O)C(Cc1ccc(C=Cc2ccccc2)cc1)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
ALDH1A1 P00352 4/20 0.49
RECQL P46063 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RELA Q04206 1/20 0.45
PIN1 Q13526 1/20 0.44
PPARG P37231 3/20 0.44
PPARA Q07869 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
MAPT P10636 1/20 0.43
XBP1 P17861 1/20 0.43

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
SCHEMBL3472271 1.00 MMP8 (0.52) MMP8CTDSP1ALDH1A1RECQLMEN1
SCHEMBL5806489 0.86 ALDH1A1 (0.62) MMP8ALDH1A1RECQLMEN1KMT2A
SCHEMBL1439605 0.83 ALDH1A1 (0.52) MMP8ALDH1A1RECQLPIN1L3MBTL1
SCHEMBL1437759 0.81 NPC1 (0.52) MMP8ALDH1A1RECQLPIN1PPARG
SCHEMBL22765987 0.78 CTDSP1 (0.57) CTDSP1ALDH1A1MEN1KMT2ARELA
SCHEMBL20346303 0.78 ALDH1A1 (0.55) MMP8CTDSP1ALDH1A1RECQLMEN1
SCHEMBL14210007 0.78 ALDH1A1 (0.53) MMP8ALDH1A1RECQLMEN1KMT2A
SCHEMBL3102952 0.76 MAPT (0.49) MMP8ALDH1A1RECQLMEN1KMT2A
SCHEMBL14122635 0.76 ALDH1A1 (0.44) MMP8ALDH1A1RECQLPIN1PPARA
SCHEMBL3103352 0.76 HDAC3 (0.43) MMP8CTDSP1ALDH1A1RECQLMEN1

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-2172450-B9 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-08 EP disclosed
EP-2172450-B1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-16 EP disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
EP-2172450-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-07 EP disclosed