SCHEMBL6207149

SCHEMBL6207149

CCCCCCCCNC(=O)Nc1sc(C(=O)NCCOc2ccccc2)c(CC)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 3/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NAAA Q02083 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.41
FAAH O00519 6/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL6030362 0.90 EPHX1 (0.46) EPHX1ALDH1A1HTTRECQLNPC1
SCHEMBL6030764 0.89 EPHX1 (0.46) EPHX1ALDH1A1HTTRECQLNPC1
SCHEMBL6205626 0.87 EPHX1 (0.45) EPHX1ALDH1A1HTTL3MBTL1NAAA
SCHEMBL6205569 0.87 EPHX1 (0.45) EPHX1ALDH1A1HTTL3MBTL1NAAA
SCHEMBL6030339 0.81 POLB (0.42) EPHX1ALDH1A1HTTRECQLNPC1
SCHEMBL6207152 0.81 EPHX1 (0.44) EPHX1ALDH1A1HTTNAAAKMT2A
SCHEMBL6030814 0.80 POLB (0.43) EPHX1ALDH1A1HTTRECQLNPC1
SCHEMBL6208748 0.80 EPHX1 (0.47) EPHX1ALDH1A1HTTL3MBTL1HPGD
SCHEMBL6030430 0.76 EPHX1 (0.41) EPHX1ALDH1A1HTTRECQLNPC1
SCHEMBL6030269 0.75 EPHX1 (0.46) EPHX1ALDH1A1HTTL3MBTL1NAAA

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