SCHEMBL8888971

SCHEMBL8888971

CCOC(=O)C(O)CCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
MMP12 P39900 1/20 0.58
FFAR1 O14842 2/20 0.56
FFAR4 Q5NUL3 1/20 0.56
LTB4R Q15722 1/20 0.53
LTB4R2 Q9NPC1 1/20 0.53
NR1H4 Q96RI1 1/20 0.53
ALDH1A1 P00352 1/20 0.53
ALOX5 P09917 4/20 0.52
BCHE P06276 3/20 0.52
LTA4H P09960 2/20 0.51
PPARG P37231 1/20 0.51
PPARD Q03181 1/20 0.51
PPARA Q07869 1/20 0.51
MAOB P27338 1/20 0.50
EPHX2 P34913 1/20 0.50

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
SCHEMBL8890509 0.91 LMNA (0.58) LMNAL3MBTL1MMP12FFAR1FFAR4
SCHEMBL8888799 0.90 LMNA (0.57) LMNAL3MBTL1MMP12FFAR1FFAR4
SCHEMBL8890500 0.90 LMNA (0.57) LMNAL3MBTL1MMP12FFAR1FFAR4
SCHEMBL8889406 0.90 LMNA (0.57) LMNAL3MBTL1MMP12FFAR1FFAR4
SCHEMBL614649 0.87 SMN1; SMN2 (0.56) LMNAL3MBTL1ALDH1A1PPARGPPARA
SCHEMBL991355 0.87 SMN1; SMN2 (0.56) LMNAL3MBTL1ALDH1A1PPARGPPARA
SCHEMBL820513 0.87 SMN1; SMN2 (0.56) LMNAL3MBTL1ALDH1A1PPARGPPARA
SCHEMBL4756342 0.86 L3MBTL1 (0.65) LMNAL3MBTL1FFAR1FFAR4NR1H4
SCHEMBL5375675 0.86 L3MBTL1 (0.65) LMNAL3MBTL1FFAR1FFAR4NR1H4
SCHEMBL1596779 0.86 L3MBTL1 (0.65) LMNAL3MBTL1FFAR1FFAR4NR1H4

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-1997000249-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-03 WO disclosed