SCHEMBL6207152

SCHEMBL6207152

CCCCCCCCNC(=O)Nc1sc(C(=O)N(CC)Oc2ccccc2)c(CC)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.38
GHSR Q92847 1/20 0.37
POLB P06746 1/20 0.36
EPHX2 P34913 1/20 0.36
NAAA Q02083 1/20 0.36
PTPN1 P18031 1/20 0.36
KMT2A Q03164 1/20 0.35
PKM P14618 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL6030364 0.90 EPHX1 (0.45) EPHX1ALDH1A1HTTZDHHC2GHSR
SCHEMBL6030342 0.82 ALDH1A1 (0.41) EPHX1ALDH1A1HTTPOLBKMT2A
SCHEMBL6207149 0.81 EPHX1 (0.45) EPHX1ALDH1A1HTTNAAAKMT2A
SCHEMBL6208748 0.79 EPHX1 (0.47) EPHX1ALDH1A1HTTPOLBEPHX2
SCHEMBL6205569 0.78 EPHX1 (0.45) EPHX1ALDH1A1HTTEPHX2NAAA
SCHEMBL6205626 0.78 EPHX1 (0.45) EPHX1ALDH1A1HTTEPHX2NAAA
SCHEMBL6030205 0.76 ALDH1A1 (0.46) EPHX1ALDH1A1HTTEPHX2KMT2A
SCHEMBL6030764 0.73 EPHX1 (0.46) EPHX1ALDH1A1HTTPOLBNAAA
SCHEMBL6030362 0.72 EPHX1 (0.46) EPHX1ALDH1A1HTTPOLBNAAA
SCHEMBL6030484 0.71 MAPT (0.48) EPHX1ALDH1A1HTTPOLBEPHX2

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