SCHEMBL7859396

SCHEMBL7859396

c1ccc(COc2ccc(CCC3OCCO3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.56
EPHX2 P34913 1/20 0.56
FFAR1 O14842 5/20 0.55
FFAR4 Q5NUL3 2/20 0.55
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HRH3 Q9Y5N1 1/20 0.51
BCHE P06276 4/20 0.50
MAOB P27338 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL7428125 0.83 DRD4 (0.47) SLC6A2SLC6A3
SCHEMBL11359999 0.83 LTA4H (0.54) LTA4HEPHX2FFAR1FFAR4LMNA
SCHEMBL7266929 0.77 DRD4 (0.45) CYP1A2SLC6A2CYP2C19SLC6A3NPC1
SCHEMBL10752061 0.76 LMNA (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL3421201 0.75 LMNA (0.85) LTA4HEPHX2FFAR1FFAR4LMNA
SCHEMBL5700 0.75 LTA4H (0.80) LTA4HEPHX2FFAR1FFAR4LMNA
SCHEMBL7160748 0.75 ESR1 (0.52) LTA4HLMNAPTGS1SLC6A2CYP2C19
SCHEMBL7026659 0.74 GSK3B (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL7026664 0.74 GSK3B (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL10609652 0.74 LMNA (0.75) LTA4HEPHX2FFAR1FFAR4LMNA

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-0873293-B1 IMPROVED PROCESS FOR THE PREPARATION OF ALKYL OR ARYL ALDEHYDE INTERMEDIATES ABBOTT LAB (US) 2001-07-25 EP disclosed