SCHEMBL7258479

SCHEMBL7258479

CC(C)(O)C(N)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.58
LAP3 P28838 1/20 0.54
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
HIF1A Q16665 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MAOB P27338 4/20 0.51
PPARG P37231 3/20 0.51
PPARA Q07869 3/20 0.51
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
MAOA P21397 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL8540631 0.84 KDM4E (0.61) LAP3LMNAPTGS1SLC6A2SLC6A3
SCHEMBL1153491 0.84 KDM4E (0.61) LAP3LMNAPTGS1SLC6A2SLC6A3
SCHEMBL1153493 0.84 KDM4E (0.61) LAP3LMNAPTGS1SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL4524323 0.82 KDM4E (0.59) LAP3LMNAPTGS1SLC6A2SLC6A3
Water SCHEMBL11513174 0.82 KDM4E (0.59) LAP3LMNAPTGS1SLC6A2SLC6A3
SCHEMBL2750285 0.80 LTA4H (0.67) LTA4HLAP3SLC6A2SLC6A3MAOB
SCHEMBL2750286 0.80 LTA4H (0.67) LTA4HLAP3SLC6A2SLC6A3MAOB
SCHEMBL12532788 0.80 LTA4H (0.67) LTA4HLAP3SLC6A2SLC6A3MAOB
SCHEMBL7432927 0.79 LTA4H (0.59) LTA4HLAP3LMNACYP1A2PTGS1
SCHEMBL6478940 0.79 SLC6A4 (0.41) LTA4HLMNACYP1A2CYP2C19PPARA

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
WO-2003014113-A1 NOVEL BENZOPYRAN COMPOUNDS AND PROCESS FOR THEIR PREPARATION AND USE GLENMARK PHARMACEUTICALS LIMITED (IN) 2003-02-20 WO disclosed