SCHEMBL1040326

SCHEMBL1040326

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)O)C(Cc4ccccc4)[C@@H](OCCCO)[C@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.34
MAPT P10636 1/20 0.31
PAX8 Q06710 1/20 0.31
ALOX15 P16050 1/20 0.31
FPR1 P21462 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
GRM5 P41594 1/20 0.30
TSHR P16473 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
SCHEMBL1040689 0.91 REN (0.33) RENTP53THRB
SCHEMBL1038321 0.91 REN (0.34) RENMAPTPAX8TP53THRB
SCHEMBL1039803 0.88 REN (0.34) RENMAPTTHRB
SCHEMBL1040811 0.87 MAPT (0.33) RENMAPTTP53THRBTSHR
SCHEMBL1038318 0.87 REN (0.37) RENGRM5
SCHEMBL1035197 0.86 REN (0.38) RENMAPTTP53THRB
SCHEMBL1081449 0.85 REN (0.37) RENALOX15FPR1HSD17B10GRM5
SCHEMBL1040324 0.85 MMP9 (0.36) RENTP53THRB
SCHEMBL1037840 0.84 REN (0.33) RENGRM5
SCHEMBL4145756 0.84 REN (0.38) RENMAPTTP53THRB

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