SCHEMBL1040426

SCHEMBL1040426

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](CO)[C@@H]3c3ccc(COCCOC)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.35
PDE4B Q07343 2/20 0.34
AXL P30530 1/20 0.32
MERTK Q12866 1/20 0.32
USP30 Q70CQ3 2/20 0.31
BACE1 P56817 2/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
GBA1 P04062 2/20 0.31
UGCG Q16739 2/20 0.31
GBA2 Q9HCG7 2/20 0.31
GPR119 Q8TDV5 1/20 0.30
ESR1 P03372 1/20 0.30

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
SCHEMBL1040348 0.93 AXL (0.39) RENPDE4BAXLMERTKUSP30
SCHEMBL3945248 0.91 REN (0.37) RENGBA1UGCGGBA2
SCHEMBL1498268 0.91 REN (0.33) RENPDE4BAXLMERTKBACE1
SCHEMBL1498266 0.91 REN (0.33) RENPDE4BAXLMERTKBACE1
SCHEMBL1040450 0.90 REN (0.34) RENAXLMERTKUSP30BACE1
SCHEMBL1040068 0.87 RORC (0.33) RENAXLMERTKBACE1GPR119
SCHEMBL1040424 0.86 REN (0.31) RENAXLMERTK
SCHEMBL1040564 0.86 REN (0.32) RENAXLMERTKBACE1
SCHEMBL2253348 0.86 REN (0.32) RENAXLMERTKBACE1
SCHEMBL1037897 0.86 BACE1 (0.31) RENAXLMERTKBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049514-B1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2011-01-26 EP disclosed