SCHEMBL7991232

SCHEMBL7991232

O=C(/C=C/c1ccccc1)c1ccc(OCCCc2c[nH]cn2)cc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.66
HRH3 Q9Y5N1 1/20 0.66
BCHE P06276 14/20 0.58
ACHE P22303 13/20 0.58
PPARA Q07869 1/20 0.57
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
PPARG P37231 1/20 0.56

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
SCHEMBL4378564 1.00 HRH4 (0.66) HRH4HRH3BCHEACHEPPARA
SCHEMBL7987181 0.82 GAA (0.55) HRH4HRH3PPARAPPARG
SCHEMBL7987202 0.78 HRH2 (0.48) PPARAPPARG
SCHEMBL3000224 0.78 BCHE (0.72) BCHEACHEPPARAMAOAMAOB
SCHEMBL3001883 0.78 BCHE (0.72) BCHEACHEPPARAMAOAMAOB
SCHEMBL3000223 0.78 BCHE (0.72) BCHEACHEPPARAMAOAMAOB
SCHEMBL3001884 0.78 BCHE (0.72) BCHEACHEPPARAMAOAMAOB
SCHEMBL8934857 0.77 HRH3 (0.39) HRH4HRH3PPARAPPARG
SCHEMBL25193715 0.77 BCHE (0.70) BCHEACHEPPARAMAOAMAOB
SCHEMBL3001730 0.77 BCHE (0.71) BCHEACHEPPARAMAOAMAOB

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
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US claimed