SCHEMBL8834916

SCHEMBL8834916

O=C(CCc1ccc(OCc2ccc3ccccc3n2)cc1)CCc1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.83
AKR1B1 P15121 1/20 0.83
CYSLTR1 Q9Y271 12/20 0.74
CYSLTR2 Q9NS75 9/20 0.74
GPBAR1 Q8TDU6 1/20 0.66
ALOX5 P09917 2/20 0.65

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
SCHEMBL22209116 0.93 FFAR1 (0.76) FFAR1AKR1B1CYSLTR1CYSLTR2GPBAR1
SCHEMBL8709593 0.91 FFAR1 (0.81) FFAR1AKR1B1CYSLTR1CYSLTR2GPBAR1
SCHEMBL22209124 0.90 FFAR1 (0.80) FFAR1AKR1B1CYSLTR1CYSLTR2GPBAR1
SCHEMBL8649544 0.90 FFAR1 (0.97) FFAR1AKR1B1CYSLTR1CYSLTR2GPBAR1
SCHEMBL8649541 0.89 FFAR1 (0.78) FFAR1AKR1B1CYSLTR1CYSLTR2GPBAR1
SCHEMBL8648449 0.88 FFAR1 (0.76) FFAR1AKR1B1CYSLTR1CYSLTR2GPBAR1
SCHEMBL8709596 0.86 FFAR1 (0.77) FFAR1AKR1B1CYSLTR1CYSLTR2GPBAR1
SCHEMBL8646512 0.85 CYSLTR1 (1.00) FFAR1AKR1B1CYSLTR1CYSLTR2GPBAR1
SCHEMBL8712492 0.85 CYSLTR1 (0.75) FFAR1AKR1B1CYSLTR1CYSLTR2GPBAR1
SCHEMBL7095887 0.85 CYSLTR1 (0.79) FFAR1AKR1B1CYSLTR1CYSLTR2GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5668146-A ANTIINFLAMMATORY AGENTS OR ANTIALLERGENS ABBOTT LABORATORIES (US) 1997-09-16 US disclosed