SCHEMBL8644286

SCHEMBL8644286

O=C(c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 9/20 0.69
GPBAR1 Q8TDU6 3/20 0.69
FFAR1 O14842 1/20 0.63
AKR1B1 P15121 1/20 0.63
ALOX5 P09917 1/20 0.61
CYSLTR2 Q9NS75 3/20 0.60
PDE10A Q9Y233 1/20 0.58

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
SCHEMBL7599570 0.91 GPBAR1 (0.82) CYSLTR1GPBAR1FFAR1AKR1B1ALOX5
SCHEMBL9129064 0.89 GPBAR1 (0.82) CYSLTR1GPBAR1FFAR1AKR1B1ALOX5
Acetic Acid SCHEMBL9428160 0.85 GPBAR1 (0.76) CYSLTR1GPBAR1FFAR1AKR1B1ALOX5
SCHEMBL7457682 0.85 GPBAR1 (0.90) CYSLTR1GPBAR1FFAR1AKR1B1ALOX5
SCHEMBL7718896 0.85 GPBAR1 (0.90) CYSLTR1GPBAR1FFAR1AKR1B1ALOX5
SCHEMBL7452285 0.83 CYSLTR1 (0.77) CYSLTR1GPBAR1FFAR1AKR1B1ALOX5
SCHEMBL7711072 0.82 GPBAR1 (0.80) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL8734219 0.82 CYSLTR1 (1.00) CYSLTR1GPBAR1
SCHEMBL26771305 0.82 GPBAR1 (0.83) CYSLTR1GPBAR1FFAR1AKR1B1ALOX5
SCHEMBL421067 0.82 GPBAR1 (1.00) CYSLTR1GPBAR1FFAR1AKR1B1CYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5783586-A Heteroarylmethoxyphenylthioalkyl carboxylates as inhibitors of leukotriene biosynthesis ABBOTT LABORATORIES (US) 1998-07-21 US disclosed
WO-1998014429-A1 HETEROARYLMETHOXYPHENYLTHIOALKYL CARBOXYLATES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1998-04-09 WO disclosed