SCHEMBL6208748

SCHEMBL6208748

CCCCCCCCNC(=O)Nc1sc(C(=O)OCc2ccccc2)c(CC)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.47
ALDH1A1 P00352 3/20 0.47
HTT P42858 1/20 0.47
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
SIRT2 Q8IXJ6 8/20 0.41
SIRT1 Q96EB6 6/20 0.41
SIRT3 Q9NTG7 4/20 0.41
EPHX2 P34913 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL6030484 0.89 MAPT (0.48) EPHX1ALDH1A1HTTCYP3A4TSHR
SCHEMBL6030356 0.81 MAPT (0.45) EPHX1ALDH1A1HTTCYP3A4TSHR
SCHEMBL6031142 0.81 MAPT (0.45) EPHX1ALDH1A1HTTCYP3A4TSHR
SCHEMBL6031521 0.81 MAPT (0.45) EPHX1ALDH1A1HTTCYP3A4TSHR
SCHEMBL6029684 0.81 MAPT (0.45) EPHX1ALDH1A1HTTCYP3A4TSHR
SCHEMBL6205626 0.81 EPHX1 (0.45) EPHX1ALDH1A1HTTL3MBTL1EPHX2
SCHEMBL6205569 0.81 EPHX1 (0.45) EPHX1ALDH1A1HTTL3MBTL1EPHX2
SCHEMBL6030266 0.81 EPHX1 (0.43) EPHX1ALDH1A1HTTMEN1HPGD
SCHEMBL6207149 0.80 EPHX1 (0.45) EPHX1ALDH1A1HTTTSHRL3MBTL1
SCHEMBL6030263 0.80 EPHX1 (0.43) EPHX1ALDH1A1HTTMEN1HPGD

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