SCHEMBL3634575

SCHEMBL3634575

COc1ccc2nccc(N3CC(N(C)C[C@@H](O)CNC(=O)OCc4ccccc4)C3)c2n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP8B1 Q9UNU6 1/20 0.38
LMNA P02545 6/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TP53 P04637 1/20 0.35
GFER P55789 1/20 0.35
MAPK1 P28482 1/20 0.34
KCNH2 Q12809 3/20 0.34
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 0.33
SLC2A1 P11166 1/20 0.33
USP2 O75604 1/20 0.33
KCNA5 P22460 1/20 0.33
OPRK1 P41145 1/20 0.33
LCK P06239 1/20 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
SCHEMBL16986065 1.00 CYP8B1 (0.38) CYP8B1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL16986071 0.83 LMNA (0.44) LMNAMAPTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL16986070 0.83 LMNA (0.44) LMNAMAPTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL1222848 0.82 CYP8B1 (0.42) CYP8B1KCNH2
SCHEMBL1224380 0.81 ALDH1A1 (0.42) CYP8B1ALDH1A1KCNH2
SCHEMBL1223517 0.80 CYP8B1 (0.39) CYP8B1KCNH2SLC2A1
SCHEMBL1223514 0.80 CYP8B1 (0.39) CYP8B1KCNH2SLC2A1
SCHEMBL1223261 0.76 ALDH1A1 (0.45) CYP8B1SMN1; SMN2ALDH1A1KCNH2
SCHEMBL1223178 0.71 GRM2 (0.44) CYP8B1
SCHEMBL1224361 0.71 GRM2 (0.44) CYP8B1

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-2144910-B1 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2015-10-28 EP disclosed
EP-2915813-A1 Oxazolidinone antibiotics Actelion Pharmaceuticals Ltd. (CH) 2015-09-09 EP disclosed
EP-2905283-A1 Oxazolidinone antibiotics Actelion Pharmaceuticals Ltd. (CH) 2015-08-12 EP disclosed
EP-2144910-A2 OXAZOLIDINONE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2010-01-20 EP disclosed
WO-2008126034-A2 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 WO disclosed