SCHEMBL8255176

SCHEMBL8255176

CC(C)=CCC(C)(C)CI

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 1/20 0.33
ALOX15 P16050 1/20 0.32
GGPS1 O95749 2/20 0.31

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
SCHEMBL1698052 0.83 KMT2A (0.41) L3MBTL1MEN1ALDH1A1TSHRKMT2A
SCHEMBL17111461 0.76 L3MBTL1 (0.38) L3MBTL1MEN1ALDH1A1TSHRKMT2A
SCHEMBL6083788 0.76 MEN1 (0.38) L3MBTL1MEN1ALDH1A1TSHRKMT2A
SCHEMBL13306722 0.75 ALOX15 (0.48) MEN1ALDH1A1TSHRKMT2AMAPK1
SCHEMBL27832653 0.74 L3MBTL1 (0.37) L3MBTL1MEN1ALDH1A1TSHRKMT2A
SCHEMBL1978409 0.72
SCHEMBL4277832 0.71
SCHEMBL19345701 0.70 L3MBTL1 (0.35) L3MBTL1MEN1ALDH1A1TSHRKMT2A
SCHEMBL5689294 0.70 L3MBTL1 (0.37) L3MBTL1MEN1ALDH1A1TSHRKMT2A
SCHEMBL3709979 0.70 L3MBTL1 (0.35) L3MBTL1MEN1ALDH1A1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924593-B9 HCV NS3 PROTEASE INHIBITORS MERCK & CO INC (US) 2010-02-17 EP disclosed
EP-1924593-B1 HCV NS3 PROTEASE INHIBITORS MERCK & CO INC (US) 2009-09-16 EP disclosed
WO-2007015787-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
WO-2007015855-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
WO-2006119061-A2 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2006-11-09 WO disclosed