SCHEMBL7541837

SCHEMBL7541837

Cc1cc(OCc2nc3ccccc3o2)ccc1N(C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.52
ALOX5 P09917 1/20 0.42
ALOX5AP P20292 1/20 0.41
PPARD Q03181 5/20 0.40
LMNA P02545 1/20 0.39
GSTP1 P09211 1/20 0.39
ACHE P22303 1/20 0.39
PPARG P37231 3/20 0.39
PPARA Q07869 1/20 0.39
MAOB P27338 1/20 0.38
THRB P10828 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL7542014 0.90 PDE10A (0.51) PDE10AALOX5ALOX5APPPARDLMNA
SCHEMBL7548833 0.84 PDE10A (0.47) PDE10AALOX5ALOX5APPPARDLMNA
SCHEMBL7545911 0.82 PDE10A (0.45) PDE10AALOX5ALOX5APPPARDLMNA
SCHEMBL7548347 0.82 PDE10A (0.45) PDE10AALOX5ALOX5APPPARDLMNA
SCHEMBL7545435 0.81 PDE10A (0.47) PDE10AALOX5ALOX5APPPARDLMNA
SCHEMBL7541458 0.80 PDE10A (0.44) PDE10AALOX5ALOX5APPPARDLMNA
SCHEMBL7548710 0.80 PDE10A (0.44) PDE10AALOX5ALOX5APPPARDLMNA
SCHEMBL7542088 0.80 PDE10A (0.44) PDE10AALOX5ALOX5APPPARDLMNA
SCHEMBL7548379 0.79 PDE10A (0.43) PDE10AALOX5ALOX5APPPARDLMNA
SCHEMBL7541024 0.79 PDE10A (0.43) PDE10AALOX5ALOX5APPPARDLMNA

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-0795550-B1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO CO (JP) 2002-06-05 EP claimed