SCHEMBL9764591

SCHEMBL9764591

O=C(/C=C\C(=O)OC(=O)[C@H](O)c1ccccc1)OC(=O)[C@H](O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.52
MAPK1 P28482 1/20 0.52
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
HCAR2 Q8TDS4 3/20 0.46
HPGD P15428 2/20 0.43
CYP2D6 P10635 3/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP2C9 P11712 1/20 0.42
KMT2A Q03164 2/20 0.41
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM3 P20309 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MDM4 O15151 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
SCHEMBL5798907 0.95 HCAR2 (0.54) LMNAMAPK1CES2CES1HCAR2
SCHEMBL4909578 0.95 HCAR2 (0.54) LMNAMAPK1CES2CES1HCAR2
SCHEMBL28905351 0.88 LMNA (0.51) LMNAMAPK1HCAR2CYP2D6CYP2C9
SCHEMBL1951103 0.86 LMNA (0.62) LMNAMAPK1CES2CES1HPGD
SCHEMBL352390 0.86 LMNA (0.62) LMNAMAPK1CES2CES1HPGD
SCHEMBL2687707 0.82 LMNA (0.58) LMNAMAPK1CES2CES1HPGD
SCHEMBL11083519 0.78 LMNA (0.54) LMNAMAPK1CES2CES1HPGD
SCHEMBL378836 0.78 LMNA (0.54) LMNAMAPK1CES2CES1HPGD
SCHEMBL1040186 0.78 LMNA (0.54) LMNAMAPK1CES2CES1HPGD
SCHEMBL2761810 0.78 LMNA (0.54) LMNAMAPK1CES2CES1HPGD

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
US-5021413-A Analgesic thiomorpholins their preparation, and pharmaceutical compositions containing them SANKYO COMPANY LIMITED (JP) 1991-06-04 US disclosed