SCHEMBL11075686

SCHEMBL11075686

CCC(C)OC(=O)C(CCCC1CCCCCCC1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
CTSK P43235 2/20 0.39
CYP1A2 P05177 1/20 0.39
NAAA Q02083 3/20 0.38
METAP2 P50579 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
EPHX1 P07099 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MMP2 P08253 1/20 0.36
BMP1 P13497 1/20 0.36
ALOX5 P09917 2/20 0.35
PPARG P37231 2/20 0.35
PTGES O14684 1/20 0.35
PTGS2 P35354 1/20 0.35
PSEN1 P49768 1/20 0.35
CPB2 Q96IY4 1/20 0.35

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
SCHEMBL11074086 1.00 MAPT (0.40) MAPTCTSKCYP1A2NAAAMETAP2
SCHEMBL11074011 1.00 MAPT (0.40) MAPTCTSKCYP1A2NAAAMETAP2
SCHEMBL11073505 1.00 MAPT (0.40) MAPTCTSKCYP1A2NAAAMETAP2
SCHEMBL11072363 0.99 MAPT (0.40) MAPTCTSKCYP1A2NAAAMETAP2
SCHEMBL11081590 0.96 NAAA (0.39) MAPTCTSKCYP1A2NAAAMETAP2
SCHEMBL11071877 0.95 TP53 (0.39) MAPTCTSKCYP1A2NAAAMETAP2
SCHEMBL11081734 0.95 TP53 (0.39) MAPTCTSKCYP1A2NAAAMETAP2
SCHEMBL11068957 0.95 TP53 (0.39) MAPTCTSKCYP1A2NAAAMETAP2
SCHEMBL11079199 0.94 TP53 (0.38) MAPTCTSKCYP1A2NAAAMETAP2
SCHEMBL11070070 0.93 TP53 (0.40) MAPTCTSKCYP1A2NAAAMETAP2

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-4430339-A PROPHYLAXIS, METABOLISM, GLUCOSE, FATS, HYPOGLYCEMIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-02-07 US disclosed
WO-1982000822-A1 SUBSTITUTED OXIRANECARBOXYLIC ACIDS,THEIR PREPARATION AND THEIR USE AS MEDICAMENTS EISTETTER K 1982-03-18 WO disclosed