SCHEMBL11079199

SCHEMBL11079199

CCC(C)OC(=O)C(CCCCC1CCCC1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
NAAA Q02083 4/20 0.38
MAPT P10636 1/20 0.37
EPHX1 P07099 1/20 0.37
CTSK P43235 2/20 0.36
CPB2 Q96IY4 1/20 0.35
METAP2 P50579 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CYP1A2 P05177 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ALOX5 P09917 3/20 0.34
PPARG P37231 2/20 0.34
PTGES O14684 1/20 0.33
PTGS2 P35354 1/20 0.33
PSEN1 P49768 1/20 0.33
KLK7 P49862 1/20 0.33

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
SCHEMBL11081590 0.99 NAAA (0.39) TP53NAAAMAPTEPHX1CTSK
SCHEMBL11070070 0.99 TP53 (0.40) TP53NAAAMAPTEPHX1CTSK
SCHEMBL11071877 0.97 TP53 (0.39) TP53NAAAMAPTEPHX1CTSK
SCHEMBL11081734 0.97 TP53 (0.39) TP53NAAAMAPTEPHX1CTSK
SCHEMBL11068957 0.97 TP53 (0.39) TP53NAAAMAPTEPHX1CTSK
SCHEMBL11072363 0.96 MAPT (0.40) TP53NAAAMAPTEPHX1CTSK
SCHEMBL11074086 0.94 MAPT (0.40) NAAAMAPTEPHX1CTSKCPB2
SCHEMBL11073505 0.94 MAPT (0.40) NAAAMAPTEPHX1CTSKCPB2
SCHEMBL11074011 0.94 MAPT (0.40) NAAAMAPTEPHX1CTSKCPB2
SCHEMBL11075686 0.94 MAPT (0.40) NAAAMAPTEPHX1CTSKCPB2

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-4430339-A PROPHYLAXIS, METABOLISM, GLUCOSE, FATS, HYPOGLYCEMIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-02-07 US disclosed