SCHEMBL19112883

SCHEMBL19112883

COC(=O)C1C(c2ccc(OC)cc2)[C@H]1C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
FABP7 O15540 1/20 0.49
FABP5 Q01469 1/20 0.49
EDNRA P25101 2/20 0.47
EDNRB P24530 1/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL12489242 1.00 POLB (0.56) POLBSMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL12686737 1.00 POLB (0.56) POLBSMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL19113373 0.83 SMN1; SMN2 (0.51) POLBSMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL12488726 0.82 EDNRA (0.62) POLBSMN1; SMN2FABP7FABP5EDNRA
SCHEMBL12686733 0.82 EDNRA (0.62) POLBSMN1; SMN2FABP7FABP5EDNRA
SCHEMBL8067771 0.80 POLB (0.82) POLBSLC6A4SLC6A3FABP7FABP5
SCHEMBL8067775 0.80 POLB (0.82) POLBSLC6A4SLC6A3FABP7FABP5
SCHEMBL16104896 0.78 POLB (0.62) POLBSLC6A3ALDH1A1TSHRTP53
SCHEMBL19397276 0.78 POLB (0.62) POLBSLC6A2SLC6A4SLC6A3
SCHEMBL19355164 0.76 POLB (0.89) POLBSLC6A3FABP7FABP5ALDH1A1

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-3190108-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V Biosciences, Inc. (US) 2017-07-12 EP disclosed