SCHEMBL1035648

SCHEMBL1035648

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](OCCCOC(=O)CCCCCO[N+](=O)[O-])[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.35
MERTK Q12866 1/20 0.35
TP53 P04637 2/20 0.31
THRB P10828 2/20 0.31
MAPT P10636 1/20 0.30
REN P00797 1/20 0.30
BMP1 P13497 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
SCHEMBL1039721 0.94 AXL (0.37) AXLMERTKTP53THRBMAPT
SCHEMBL4098595 0.93 REN (0.32) REN
SCHEMBL4098592 0.93 REN (0.32) REN
SCHEMBL4533914 0.89 REN (0.36) REN
SCHEMBL1038201 0.89 AXL (0.37) AXLMERTKTP53THRBMAPT
SCHEMBL1040042 0.88 AXL (0.38) AXLMERTKTP53THRBMAPT
SCHEMBL1037887 0.87 AXL (0.36) AXLMERTKTP53THRBMAPT
SCHEMBL3943030 0.86 REN (0.35) TP53THRBMAPTREN
SCHEMBL3943023 0.86 REN (0.35) TP53THRBMAPTREN
SCHEMBL1075627 0.86 REN (0.35) TP53THRBMAPTREN

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