SCHEMBL993585

SCHEMBL993585

CC(C)(C(=O)OCI)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
LMNA P02545 3/20 0.44
HCAR2 Q8TDS4 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
SYK P43405 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
PTPRC P08575 1/20 0.42
PTPN1 P18031 1/20 0.42
MAOB P27338 1/20 0.41

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
SCHEMBL991531 0.91 ALDH1A1 (0.62) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL16065595 0.85 ALDH1A1 (0.55) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL25953192 0.85 MMP8 (0.55) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL991532 0.84 ALDH1A1 (0.58) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL991818 0.83 ALDH1A1 (0.53) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL3296206 0.83 ALDH1A1 (0.53) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL5395231 0.83 ALDH1A1 (0.61) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL3295418 0.81 ALDH1A1 (0.59) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL23501489 0.81 ALDH1A1 (0.58) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL24665790 0.81 ALDH1A1 (0.50) ALDH1A1KMT2ATDP1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011011483-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-01-27 WO disclosed