SCHEMBL3665484

SCHEMBL3665484

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP8B1 Q9UNU6 1/20 0.53
NOTUM Q6P988 11/20 0.45
EHMT2 Q96KQ7 1/20 0.43
EHMT1 Q9H9B1 1/20 0.43
PIK3CA P42336 2/20 0.40
KEAP1 Q14145 1/20 0.40
CYP2C19 P33261 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
KCNH2 Q12809 2/20 0.39
ACVR1 Q04771 1/20 0.39

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
SCHEMBL10078646 1.00 CYP8B1 (0.53) CYP8B1NOTUMEHMT2EHMT1PIK3CA
SCHEMBL1224565 1.00 CYP8B1 (0.53) CYP8B1NOTUMEHMT2EHMT1PIK3CA
SCHEMBL3630741 0.91 EHMT2 (0.48) CYP8B1EHMT2EHMT1PIK3CAPIK3CD
SCHEMBL3667650 0.90 CYP8B1 (0.51) CYP8B1EHMT2EHMT1PIK3CACYP2C19
SCHEMBL3665597 0.90 CYP8B1 (0.51) CYP8B1EHMT2EHMT1PIK3CACYP2C19
SCHEMBL3668757 0.90 CYP8B1 (0.51) CYP8B1EHMT2EHMT1PIK3CACYP2C19
SCHEMBL3168429 0.84 CYP8B1 (0.50) CYP8B1PIK3CACYP2C19PIK3CDPIK3CB
SCHEMBL1224249 0.83 EHMT2 (0.49) CYP8B1EHMT2EHMT1PIK3CACYP2C19
SCHEMBL3634872 0.81 CYP2C19 (0.54) CYP8B1PIK3CACYP2C19KCNH2ACVR1
SCHEMBL3636416 0.81 CYP2C19 (0.54) CYP8B1PIK3CACYP2C19KCNH2ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2915813-B1 Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD (CH) 2017-02-01 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
US-8217029-B2 Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD (CH) 2012-07-10 US 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