SCHEMBL11216638

SCHEMBL11216638

CCC(N)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.72
MAOB P27338 4/20 0.56
LAP3 P28838 1/20 0.55
MAOA P21397 2/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALOX5 P09917 1/20 0.53
PPARG P37231 3/20 0.52
PPARA Q07869 3/20 0.52
PPARD Q03181 1/20 0.52
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
CYP2C19 P33261 1/20 0.51
PTGS2 P35354 1/20 0.51
SLC6A3 Q01959 1/20 0.51

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
SCHEMBL13696737 1.00 LTA4H (0.72) LTA4HMAOBLAP3MAOAGAA
SCHEMBL2027392 0.85 LTA4H (0.74) LTA4HMAOBLAP3MAOAGAA
SCHEMBL2032141 0.85 LTA4H (0.74) LTA4HMAOBLAP3MAOAGAA
SCHEMBL5358938 0.85 LTA4H (0.74) LTA4HMAOBLAP3MAOAGAA
SCHEMBL4701244 0.85 LTA4H (0.74) LTA4HMAOBLAP3MAOAGAA
SCHEMBL7258949 0.84 LTA4H (0.68) LTA4HMAOBLAP3MAOAGAA
SCHEMBL1893281 0.84 LTA4H (1.00) LTA4HMAOBLAP3MAOAGAA
Hydrochloric Acid SCHEMBL4229807 0.84 LTA4H (0.72) LTA4HMAOBLAP3MAOAGAA
SCHEMBL29399745 0.84 LTA4H (1.00) LTA4HMAOBLAP3MAOAGAA
SCHEMBL1893279 0.84 LTA4H (1.00) LTA4HMAOBLAP3MAOAGAA

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-4329367-A ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1982-05-11 US disclosed