SCHEMBL6205569

SCHEMBL6205569

CCCCCCCCCCCCCCNC(=O)Nc1sc(C(=O)NCCCCCCCC)c(CC)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 15/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
NAAA Q02083 1/20 0.41
EPHX2 P34913 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.37
ALOX15 P16050 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
SCHEMBL6205626 1.00 EPHX1 (0.45) EPHX1ALDH1A1HTTNAAAEPHX2
SCHEMBL6207149 0.87 EPHX1 (0.45) EPHX1ALDH1A1HTTNAAAL3MBTL1
SCHEMBL6030772 0.86 EPHX1 (0.46) EPHX1ALDH1A1HTTNAAAEPHX2
SCHEMBL6030269 0.86 EPHX1 (0.46) EPHX1ALDH1A1HTTNAAAEPHX2
SCHEMBL6030406 0.86 EPHX1 (0.46) EPHX1ALDH1A1HTTNAAAEPHX2
SCHEMBL6030371 0.86 EPHX1 (0.46) EPHX1ALDH1A1HTTNAAAEPHX2
SCHEMBL6030458 0.81 EPHX1 (0.48) EPHX1ALDH1A1HTTEPHX2
SCHEMBL6208748 0.81 EPHX1 (0.47) EPHX1ALDH1A1HTTEPHX2L3MBTL1
SCHEMBL6030199 0.81 EPHX1 (0.41) EPHX1ALDH1A1HTTNAAAEPHX2
SCHEMBL6030430 0.81 EPHX1 (0.41) EPHX1ALDH1A1HTTEPHX2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467978-A4 PANCREATIC LIPASE INHIBITOR COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2005-11-02 EP disclosed
EP-1467978-A1 PANCREATIC LIPASE INHIBITOR COMPOUNDS, THEIR SYNTHESIS AND USE OSI Pharmaceuticals, Inc. (US) 2004-10-20 EP disclosed
WO-2003053944-A1 PANCREATIC LIPASE INHIBITOR COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2003-07-03 WO disclosed