SCHEMBL6887965

SCHEMBL6887965

COc1ccc(OCC(C)CCCC(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.53
FFAR1 O14842 4/20 0.49
HPGD P15428 2/20 0.46
GAA P10253 2/20 0.45
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
FFAR4 Q5NUL3 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL6885224 0.88 LMNA (0.51) FFAR1HPGDPPARAALOX15
SCHEMBL6886135 0.87 PPARG (0.47) FFAR1PPARGPPARAALDH1A1RAB9A
SCHEMBL6056247 0.87 LTA4H (0.48) FFAR1PPARGPPARDPPARAFFAR4
SCHEMBL6056300 0.86 LMNA (0.56) FFAR1GAAPPARGPPARATSHR
SCHEMBL6056276 0.83 PPARD (0.51) FFAR1PPARGPPARDPPARAFFAR4
SCHEMBL7178601 0.82 MAPT (0.50) GAAMAPTALDH1A1KDM4E
SCHEMBL21991933 0.81 ITGB3 (0.57) FFAR1CYP2C9TSHRALDH1A1DRD3
SCHEMBL6226145 0.79 LMNA (0.59) NPSR1MAPTALDH1A1KDM4EHSD17B10
SCHEMBL8029095 0.79 PDE4B (0.64) PDE4BFFAR1HPGDGAAHTT
SCHEMBL7170118 0.78 PDE4B (0.55) PDE4BFFAR1HPGDGAAHTT

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