SCHEMBL996249

SCHEMBL996249

O=C(CCS)OCc1ccc(COC(=O)CCS)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
ACE P12821 1/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 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 0.90 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL10582302 0.88 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL21993645 0.88 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL10989032 0.85 RAB9A (0.59) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL996454 0.84 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1ACELMNA
SCHEMBL27626309 0.80 MEN1 (0.61) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL7056064 0.79 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL10965991 0.77 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1KMT2ALMNA
SCHEMBL28173072 0.77 MEN1 (0.57) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL2533623 0.77 MAPT (0.63) ALDH1A1MAPK1L3MBTL1KMT2AMEN1

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