SCHEMBL11548178

SCHEMBL11548178

CCCCC(CC(Oc1ccccc1)C(=O)OCC)OC(CCCC)CC(Oc1ccccc1)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.47
PPARG P37231 5/20 0.42
ALOX5 P09917 2/20 0.42
PTGES O14684 1/20 0.42
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PPARA Q07869 4/20 0.40
POLB P06746 1/20 0.40
ALDH2 P05091 1/20 0.39
PIN1 Q13526 1/20 0.38
CNR2 P34972 1/20 0.38
CTRC Q99895 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CA2 P00918 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL11553515 0.96 TDP1 (0.46) TDP1PPARGALOX5PTGESLMNA
SCHEMBL11552158 0.90 PPARG (0.42) TDP1PPARGALOX5PTGESLMNA
SCHEMBL11546174 0.88 PPARG (0.50) PPARGALOX5PTGESPPARACTRC
SCHEMBL11546853 0.87 PPARG (0.40) TDP1PPARGALOX5PTGESPPARA
SCHEMBL5210592 0.86 TDP1 (0.54) TDP1PPARGALOX5PTGESLMNA
SCHEMBL11546727 0.83 TDP1 (0.46) TDP1PPARGALOX5PTGESLMNA
SCHEMBL11545934 0.83 CTRC (0.51) PPARGALOX5PTGESPPARACNR2
SCHEMBL11552397 0.83 CTRC (0.51) PPARGALOX5PTGESPPARACNR2
SCHEMBL27504808 0.80 PPARG (0.55) TDP1PPARGLMNAL3MBTL1PPARA
SCHEMBL767041 0.77 TDP1 (0.55) TDP1PPARGLMNAL3MBTL1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4148915-A ARTERIOSCLEROSIS AND HYPERLIPEMIA TREATMENT DIURETICS, ANTICHOLESTEROL AND ANTILIPEMIC ALBERT ROLLAND, S.A. (FR) 1979-04-10 US claimed
US-4148915-A ARTERIOSCLEROSIS AND HYPERLIPEMIA TREATMENT DIURETICS, ANTICHOLESTEROL AND ANTILIPEMIC ALBERT ROLLAND, S.A. (FR) 1979-04-10 US disclosed