SCHEMBL13579151

SCHEMBL13579151

C=CC(=O)OCCCN(CC)CCCOc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 11/20 0.59
ACHE P22303 10/20 0.59
LSS P48449 2/20 0.55
THRB P10828 1/20 0.53
PPARA Q07869 2/20 0.48
GAA P10253 1/20 0.48
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
APP P05067 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL12795159 0.97 BCHE (0.58) BCHEACHELSSTHRBHRH3
SCHEMBL12795198 0.92 BCHE (0.54) BCHEACHELSSTHRBLMNA
SCHEMBL12795161 0.88 LSS (0.66) BCHEACHELSSTHRBPPARA
SCHEMBL279028 0.87 BCHE (0.54) BCHEACHELSSTHRBPPARA
SCHEMBL11994238 0.87 THRB (0.66) LSSTHRBPPARAGAALMNA
SCHEMBL22609158 0.87 THRB (0.66) LSSTHRBPPARAGAALMNA
SCHEMBL12795119 0.86 BCHE (0.50) BCHEACHELSSTHRBPPARA
SCHEMBL15525736 0.85 THRB (0.64) LSSTHRBPPARAGAALMNA
SCHEMBL13305510 0.85 BCHE (0.77) BCHEACHEPPARAGAALMNA
SCHEMBL12795163 0.85 LSS (0.65) BCHEACHELSSTHRBPPARA

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-2130817-A1 Polymerizable Type II photoinitiators and curable compositions AGFA Graphics NV (BE) 2009-12-09 EP disclosed