SCHEMBL8008244

SCHEMBL8008244

CC(C)C(O)(CCc1ccc(OCc2ccccc2)cc1)CC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.49
FFAR4 Q5NUL3 2/20 0.49
LTB4R Q15722 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.45
LTA4H P09960 2/20 0.44
MAOB P27338 2/20 0.44
EPHX2 P34913 1/20 0.44
MMP12 P39900 1/20 0.44
BCHE P06276 1/20 0.44
PPARG P37231 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALOX5 P09917 1/20 0.43

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
SCHEMBL8014867 0.90 FFAR1 (0.50) FFAR1FFAR4LTB4RLTB4R2LTA4H
SCHEMBL6303423 0.89 CA12 (0.41)
SCHEMBL8343697 0.88 FFAR1 (0.57) FFAR1FFAR4LTB4RLTB4R2LTA4H
SCHEMBL8008297 0.88 FFAR1 (0.57) FFAR1FFAR4LTB4RLTB4R2LTA4H
SCHEMBL8345213 0.82 LMNA (0.50) FFAR1FFAR4LTB4RLTB4R2LTA4H
SCHEMBL8345146 0.78 MAOB (0.47) FFAR1FFAR4LTA4HMAOBEPHX2
SCHEMBL7642170 0.77 HMOX1 (0.52) FFAR1FFAR4LTB4RLTB4R2LTA4H
SCHEMBL7642166 0.77 HMOX1 (0.52) FFAR1FFAR4LTB4RLTB4R2LTA4H
SCHEMBL5947113 0.76 FFAR1 (0.66) FFAR1FFAR4PPARG
SCHEMBL13225831 0.75 FFAR1 (0.56) FFAR1FFAR4LTB4RLTB4R2LTA4H

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 5 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
WO-1998019997-A2 DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1998-05-14 WO disclosed