SCHEMBL8961890

SCHEMBL8961890

C=CC(=O)OC(C)OC(=O)Oc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 3/20 0.47
PGR P06401 1/20 0.47
GAA P10253 1/20 0.47
PTGS1 P23219 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 3/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 4/20 0.41
HPGD P15428 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
ATM Q13315 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP2 P08253 1/20 0.39
FABP7 O15540 4/20 0.38
FABP3 P05413 4/20 0.38

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
SCHEMBL1561008 0.85 ALDH1A1 (0.43) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL29248759 0.83 ALDH1A1 (0.43) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL28379570 0.80 ALDH1A1 (0.57) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL68437 0.80 ALDH1A1 (0.56) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL29374139 0.80 ALDH1A1 (0.56) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL5450046 0.78 ADRB2 (0.44) ALDH1A1GAAKMT2ARAB9AL3MBTL1
SCHEMBL28357797 0.78 ALDH1A1 (0.54) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL8961913 0.77 THRB (0.43) ALDH1A1GAAKMT2AL3MBTL1MEN1
SCHEMBL6892792 0.77 ALDH1A1 (0.54) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL28283315 0.76 PSMB5 (0.41) ALDH1A1HSD17B10PGRGAAPTGS1

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-5488089-A Curable resin composition KANSAI PAINT CO., LTD. (JP) 1996-01-30 US disclosed