SCHEMBL8554925

SCHEMBL8554925

O=C(O)/C(=N\O)C(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.61
ALOX5 P09917 12/20 0.58
HDAC6 Q9UBN7 1/20 0.58
CYSLTR1 Q9Y271 4/20 0.58
CYSLTR2 Q9NS75 3/20 0.58
FFAR1 O14842 1/20 0.57
AKR1B1 P15121 1/20 0.57

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
SCHEMBL8555246 1.00 GPBAR1 (0.61) GPBAR1ALOX5HDAC6CYSLTR1CYSLTR2
SCHEMBL8555687 0.99 GPBAR1 (0.60) GPBAR1ALOX5HDAC6CYSLTR1CYSLTR2
SCHEMBL8555104 0.99 GPBAR1 (0.60) GPBAR1ALOX5HDAC6CYSLTR1CYSLTR2
SCHEMBL8557021 0.87 ALOX5 (0.52) GPBAR1ALOX5HDAC6CYSLTR1CYSLTR2
SCHEMBL8554146 0.86 CYSLTR1 (0.59) GPBAR1ALOX5HDAC6CYSLTR1CYSLTR2
SCHEMBL8554159 0.86 CYSLTR1 (0.59) GPBAR1ALOX5HDAC6CYSLTR1CYSLTR2
SCHEMBL8557412 0.86 ALOX5 (0.44) GPBAR1ALOX5HDAC6CYSLTR1CYSLTR2
SCHEMBL8557396 0.86 ALOX5 (0.44) GPBAR1ALOX5HDAC6CYSLTR1CYSLTR2
SCHEMBL7603712 0.86 GPBAR1 (0.70) GPBAR1ALOX5HDAC6CYSLTR1CYSLTR2
SCHEMBL8552913 0.85 ALOX5 (0.44) GPBAR1ALOX5HDAC6CYSLTR1CYSLTR2

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-5714488-A FOR TREATMENT OF ALLERGIC AND INFLAMMATORY DISEASE STATES ABBOTT LABORATORIES (US) 1998-02-03 US claimed
US-5714488-A FOR TREATMENT OF ALLERGIC AND INFLAMMATORY DISEASE STATES ABBOTT LABORATORIES (US) 1998-02-03 US disclosed