SCHEMBL8554159

SCHEMBL8554159

CCOC(=O)C(=NO)C(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 6/20 0.59
CYSLTR2 Q9NS75 5/20 0.59
GPBAR1 Q8TDU6 1/20 0.53
ALOX5 P09917 10/20 0.53
HDAC6 Q9UBN7 1/20 0.51
FFAR1 O14842 1/20 0.49
AKR1B1 P15121 1/20 0.49

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
SCHEMBL8554146 1.00 CYSLTR1 (0.59) CYSLTR1CYSLTR2GPBAR1ALOX5HDAC6
SCHEMBL8554770 0.87 CYSLTR2 (0.44) CYSLTR1CYSLTR2ALOX5
SCHEMBL8554759 0.87 CYSLTR2 (0.44) CYSLTR1CYSLTR2ALOX5
SCHEMBL8555246 0.86 GPBAR1 (0.61) CYSLTR1CYSLTR2GPBAR1ALOX5HDAC6
SCHEMBL8554925 0.86 GPBAR1 (0.61) CYSLTR1CYSLTR2GPBAR1ALOX5HDAC6
SCHEMBL8555104 0.85 GPBAR1 (0.60) CYSLTR1CYSLTR2GPBAR1ALOX5HDAC6
SCHEMBL8555687 0.85 GPBAR1 (0.60) CYSLTR1CYSLTR2GPBAR1ALOX5HDAC6
SCHEMBL7611388 0.80 GPBAR1 (0.62) CYSLTR1CYSLTR2GPBAR1ALOX5HDAC6
SCHEMBL7603712 0.79 GPBAR1 (0.70) CYSLTR1CYSLTR2GPBAR1ALOX5HDAC6
SCHEMBL14021543 0.77 GPBAR1 (0.70) CYSLTR1CYSLTR2GPBAR1ALOX5FFAR1

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