SCHEMBL8010686

SCHEMBL8010686

CCC(=O)CCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.72
FFAR4 Q5NUL3 5/20 0.72
AKR1B1 P15121 1/20 0.57
MAOB P27338 1/20 0.56
LTA4H P09960 1/20 0.56
EPHX2 P34913 1/20 0.56
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
LTB4R Q15722 1/20 0.56
LTB4R2 Q9NPC1 1/20 0.56
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55

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
SCHEMBL8415097 0.90 FFAR1 (0.62) FFAR1FFAR4MAOBLTA4HEPHX2
SCHEMBL8008103 0.87 FFAR1 (0.67) FFAR1FFAR4AKR1B1MAOBLTA4H
SCHEMBL2959389 0.85 FFAR1 (0.68) FFAR1FFAR4AKR1B1MAOBLTA4H
SCHEMBL2871406 0.85 FFAR1 (0.77) FFAR1FFAR4AKR1B1LTA4HEPHX2
SCHEMBL5033197 0.84 FFAR1 (0.77) FFAR1FFAR4AKR1B1MAOBLTA4H
SCHEMBL13905811 0.84 ALOX5 (0.66) FFAR1FFAR4MAOBLTA4HEPHX2
SCHEMBL11156485 0.84 FFAR1 (0.67) FFAR1FFAR4AKR1B1MAOBLTA4H
SCHEMBL1744939 0.84 FFAR1 (1.00) FFAR1FFAR4AKR1B1
Benzyloxyphenylpropanoic Acid SCHEMBL1134648 0.84 FFAR1 (1.00) FFAR1FFAR4AKR1B1
SCHEMBL3744601 0.84 FFAR1 (0.62) FFAR1FFAR4LTA4HEPHX2ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0935597-A2 DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1999-08-18 EP claimed
WO-1998019997-A2 DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1998-05-14 WO claimed
US-6046355-A TOLUENE-4-THIOSULFONIC ACID S-ESTERS AS CHEMICAL INTERMEDIATES FOR VIRICIDES AND ASPARTYL PROTEASE INHIBITORS; AIDS WARNER-LAMBERT COMPANY (US) 2000-04-04 US disclosed
EP-0935597-A2 DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1999-08-18 EP disclosed
US-5834506-A TREATMENT OF HIV, AIDS; ANTIVIRAL ACTIVITY IMPROVED BY JUDICIOUS PLACEMENT OF POLAR SUBSTITUENTS WARNER-LAMBERT COMPANY (US) 1998-11-10 US disclosed
WO-1998019997-A2 DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1998-05-14 WO disclosed