SCHEMBL4582330

SCHEMBL4582330

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)OCc4ccccc4)C[C@@H](O)[C@@H]3c3ccc(COCCOC)cc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.36
TMEM97 Q5BJF2 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
PDE4B Q07343 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
LIPE Q05469 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
UTS2R Q9UKP6 1/20 0.31
GBA1 P04062 1/20 0.31
UGCG Q16739 1/20 0.31
GBA2 Q9HCG7 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL2337532 0.93 MMP9 (0.36) RENTMEM97SIGMAR1PDE4B
SCHEMBL3913491 0.93 MMP9 (0.36) RENTMEM97SIGMAR1PDE4B
SCHEMBL3905577 0.93 REN (0.40) RENTMEM97SIGMAR1PDE4B
SCHEMBL3267738 0.93 REN (0.35) RENTMEM97SIGMAR1PDE4BMEN1
SCHEMBL1036379 0.93 REN (0.39) RENTMEM97SIGMAR1MEN1KMT2A
SCHEMBL2684381 0.92 REN (0.38) RENTSHRDRD2DRD4DRD3
SCHEMBL5282595 0.92 REN (0.38) RENTSHRDRD2DRD4DRD3
SCHEMBL2342157 0.92 REN (0.39) REN
SCHEMBL4582363 0.91 REN (0.35) RENTMEM97SIGMAR1PDE4BMEN1
SCHEMBL2343366 0.91 PTGDR2 (0.35) RENPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1908762-A2 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed
EP-1908761-A1 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed