SCHEMBL11277720

SCHEMBL11277720

CCC(C)OC(=O)C(CCCc1ccc(C)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.38
PPARG P37231 2/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
PPARA Q07869 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.36
DPP4 P27487 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
PLAAT3 P53816 1/20 0.36
PLAAT5 Q96KN8 1/20 0.36
PLAAT2 Q9NWW9 1/20 0.36
PLAAT4 Q9UL19 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL11269543 0.88 MAPT (0.39) MEN1KMT2AMAPTPPARGPPARA
SCHEMBL11261091 0.88 PPARA (0.51) MAPTPPARGPPARADPP4HSD17B10
SCHEMBL11261335 0.87 LDHA (0.49) KMT2AMAPTALOX5ALDH1A1
SCHEMBL11261128 0.85 MAPT (0.46) KMT2AMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL11210888 0.84 MEN1 (0.57) MEN1KMT2AMAPTMAPK1PPARG
SCHEMBL11261409 0.84 MAPT (0.45) MAPTSMN1; SMN2
SCHEMBL11268642 0.84 MAPT (0.45) MAPTSMN1; SMN2
SCHEMBL11263275 0.84 MAPT (0.45) MAPTSMN1; SMN2
SCHEMBL11261630 0.84 MAPT (0.45) MAPTSMN1; SMN2
SCHEMBL7708851 0.83 DPP4 (0.40) MEN1KMT2AMAPTPPARGPTGES

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-4324796-A HYPOGLYCEMIC AGENTS, HYPOKETONEMIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-04-13 US disclosed