SCHEMBL6885224

SCHEMBL6885224

CC(CCCC(=O)O)COc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
MTNR1A P48039 3/20 0.50
MTNR1B P49286 3/20 0.50
FFAR1 O14842 2/20 0.50
TBXA2R P21731 1/20 0.47
PTGER1 P34995 1/20 0.47
PTGFR P43088 1/20 0.47
PTGER3 P43115 1/20 0.47
PTGDR Q13258 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.46
PPARA Q07869 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
MAOA P21397 1/20 0.44
PTGS1 P23219 1/20 0.44
LTA4H P09960 1/20 0.43
GPR88 Q9GZN0 4/20 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
SCHEMBL6887965 0.88 PDE4B (0.53) FFAR1HPGDALOX15PPARA
SCHEMBL6886135 0.86 PPARG (0.47) FFAR1PPARALTA4H
SCHEMBL6056247 0.86 LTA4H (0.48) FFAR1TBXA2RPPARALTA4H
SCHEMBL7382506 0.86 HPGD (0.52) FFAR1HPGDPPARATDP1LTA4H
SCHEMBL6056300 0.86 LMNA (0.56) LMNAMTNR1AMTNR1BFFAR1PPARA
SCHEMBL6056309 0.84 PTGFR (0.53) FFAR1TBXA2RPTGER1PTGFRPTGER3
SCHEMBL6056254 0.84 FFAR1 (0.47) FFAR1HPGDPPARA
SCHEMBL5514903 0.84 TBXA2R (0.47) LMNAMTNR1AMTNR1BFFAR1TBXA2R
SCHEMBL6056276 0.83 PPARD (0.51) FFAR1PPARA
SCHEMBL6226145 0.82 LMNA (0.59) LMNAMTNR1AMTNR1B

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-1469841-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY (US) 2004-10-27 EP disclosed
WO-2003063845-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY LLC (US) 2003-08-07 WO disclosed
EP-1289558-A2 COMBINATIONS OF AN ENDOTHELIN RECEPTOR ANTAGONIST AND AN ANTIEPILEPTIC COMPOUND HAVING PAIN ALLEVIATING PROPERTIES OR ANALGESIC WARNER-LAMBERT COMPANY LLC (US) 2003-03-12 EP disclosed
EP-1192125-A2 MONO- AND DISUBSTITUTED 3-PROPYL GAMMA-AMINOBUTYRIC ACIDS WARNER-LAMBERT COMPANY (US) 2002-04-03 EP disclosed
WO-2001091736-A2 COMBINATIONS OF AN ENDOTHELIN RECEPTOR ANTAGONIST AND AN ANTIEPILEPTIC COMPOUND HAVING PAIN ALLEVIATING PROPERTIES OR ANALGESIC WARNER-LAMBERT COMPANY (US) 2001-12-06 WO disclosed
WO-2000076958-A2 MONO- AND DISUBSTITUTED 3-PROPYL GAMMA-AMINOBUTYRIC ACIDS WARNER-LAMBERT COMPANY (US) 2000-12-21 WO disclosed