SCHEMBL6228155

SCHEMBL6228155

CCCCCCCCOC(=O)Nc1sc(C(C)CCCC(C)(C)OC)cc1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
PSEN1 P49768 6/20 0.41
PSEN2 P49810 6/20 0.41
APH1B Q8WW43 6/20 0.41
NCSTN Q92542 6/20 0.41
APH1A Q96BI3 6/20 0.41
PSENEN Q9NZ42 6/20 0.41
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 3/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
NPC1 O15118 4/20 0.33

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
SCHEMBL6029902 0.86 HSD17B10 (0.40) HSD17B10ALDH1A1L3MBTL1TSHRLMNA
SCHEMBL6031351 0.86 HSD17B10 (0.42) HSD17B10ALDH1A1L3MBTL1TSHRLMNA
SCHEMBL6029620 0.86 ALOX15 (0.48) HSD17B10ALDH1A1L3MBTL1TSHRLMNA
SCHEMBL6030542 0.85 HSD17B10 (0.51) HSD17B10ALDH1A1L3MBTL1TSHRHPGD
SCHEMBL6030817 0.80 HSD17B10 (0.55) HSD17B10ALDH1A1L3MBTL1TSHRLMNA
SCHEMBL6030807 0.80 HSD17B10 (0.55) HSD17B10ALDH1A1L3MBTL1TSHRLMNA
SCHEMBL6031371 0.80 HSD17B10 (0.55) HSD17B10ALDH1A1L3MBTL1TSHRLMNA
SCHEMBL6031071 0.80 HSD17B10 (0.55) HSD17B10ALDH1A1L3MBTL1TSHRLMNA
SCHEMBL6029945 0.80 HSD17B10 (0.55) HSD17B10ALDH1A1L3MBTL1TSHRLMNA
SCHEMBL6031127 0.80 HSD17B10 (0.55) HSD17B10ALDH1A1L3MBTL1TSHRLMNA

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