SCHEMBL7549790

SCHEMBL7549790

c1ccc(CCCOc2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.66
DRD2 P14416 1/20 0.62
DRD4 P21917 1/20 0.62
DRD3 P35462 1/20 0.62
FFAR1 O14842 2/20 0.62
PPARG P37231 1/20 0.61
PLA2G2A P14555 1/20 0.60
KCNA3 P22001 1/20 0.58
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
GAA P10253 1/20 0.55
SLC2A1 P11166 1/20 0.54
IDO1 P14902 1/20 0.53

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
SCHEMBL839323 0.92 DRD2 (0.71) DRD2DRD4DRD3FFAR1KCNA3
SCHEMBL11857770 0.90 NPC1 (0.69) LTA4HDRD2DRD4DRD3FFAR1
SCHEMBL11705276 0.86 PPARG (0.65) LTA4HFFAR1PPARGPLA2G2ANPC1
SCHEMBL19322271 0.86 PPARG (0.65) LTA4HFFAR1PPARGPLA2G2ANPC1
SCHEMBL4981505 0.85 KCNA3 (0.73) DRD2DRD4DRD3FFAR1KCNA3
SCHEMBL7774931 0.84 PKM (0.68) FFAR1PPARGPLA2G2A
SCHEMBL12040543 0.83 FFAR1 (0.58) LTA4HFFAR1
SCHEMBL4982709 0.83 KCNA3 (0.70) DRD2DRD4DRD3FFAR1KCNA3
SCHEMBL19322272 0.83 FFAR1 (0.62) LTA4HFFAR1PPARG
SCHEMBL2201304 0.83 FFAR1 (0.62) LTA4HFFAR1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1014966-A4 PHARMACEUTICAL FOR TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS ALLELIX NEUROSCIENCE INC (US) 2001-10-04 EP disclosed
EP-1014966-A1 PHARMACEUTICAL FOR TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS Allelix Neuroscience Inc. (US) 2000-07-05 EP disclosed
WO-1997045115-A1 PHARMACEUTICAL FOR TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS TROPHIX PHARMACEUTICALS, INC. (US) 1997-12-04 WO disclosed