SCHEMBL996454

SCHEMBL996454

O=C(CCS)OCc1cccc(COC(=O)CCS)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ACE P12821 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
GLA P06280 1/20 0.41
HSP90AA1 P07900 2/20 0.41
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
HCAR2 Q8TDS4 3/20 0.40
PTPRC P08575 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL1200923 0.87 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1ACETDP1
SCHEMBL10582302 0.85 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1ACETDP1
SCHEMBL996249 0.84 ALDH1A1 (0.48) ALDH1A1MAPK1L3MBTL1ACETDP1
Hydrochloric Acid SCHEMBL28470249 0.80 FFAR1 (0.43) MAPK1L3MBTL1TDP1TSHR
SCHEMBL6666730 0.77 HSP90AA1 (0.47) ALDH1A1MAPK1L3MBTL1TDP1HSP90AA1
SCHEMBL21993645 0.77 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1ACELMNA
SCHEMBL5936393 0.77 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1TDP1GLA
SCHEMBL7056064 0.76 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1TDP1LMNA
SCHEMBL2535662 0.76 HSP90AA1 (0.59) ALDH1A1MAPK1L3MBTL1HSP90AA1LMNA
SCHEMBL30786800 0.76 DGKA (0.53) ALDH1A1

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-10040947-B2 Primer composition MITSUI CHEMICALS, INC. (JP) 2018-08-07 US disclosed
EP-2258780-B1 PRIMER COMPOSITION MITSUI CHEMICALS INC (JP) 2012-09-26 EP disclosed
US-20110014483-A1 PRIMER COMPOSITION MITSUI CHEMICALS, INC. 2011-01-20 US disclosed
EP-2258780-A1 PRIMER COMPOSITION Mitsui Chemicals, Inc. (JP) 2010-12-08 EP disclosed