SCHEMBL8965014

SCHEMBL8965014

ON(Cc1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 8/20 0.59
CYSLTR2 Q9NS75 7/20 0.58
ALOX5 P09917 10/20 0.56
HDAC6 Q9UBN7 1/20 0.54
FFAR1 O14842 1/20 0.53
AKR1B1 P15121 1/20 0.53
GPBAR1 Q8TDU6 1/20 0.51

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
SCHEMBL7234584 0.83 CYSLTR1 (0.60) CYSLTR1CYSLTR2ALOX5HDAC6FFAR1
SCHEMBL8965425 0.79 CYSLTR1 (0.64) CYSLTR1CYSLTR2ALOX5HDAC6FFAR1
SCHEMBL9018918 0.78 PDE10A (0.57) CYSLTR1CYSLTR2ALOX5HDAC6GPBAR1
SCHEMBL10438460 0.77 CYSLTR1 (0.65) CYSLTR1CYSLTR2ALOX5HDAC6GPBAR1
SCHEMBL10438395 0.77 CYSLTR1 (0.65) CYSLTR1CYSLTR2ALOX5HDAC6GPBAR1
SCHEMBL10438455 0.77 CYSLTR1 (0.65) CYSLTR1CYSLTR2ALOX5HDAC6GPBAR1
SCHEMBL2108349 0.77 ALOX5 (0.61) CYSLTR1CYSLTR2ALOX5HDAC6FFAR1
SCHEMBL8503501 0.76 CYSLTR1 (0.66) CYSLTR1CYSLTR2ALOX5HDAC6FFAR1
SCHEMBL3076102 0.75 CYSLTR1 (1.00) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1
SCHEMBL8317460 0.75 CYSLTR1 (0.74) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1

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-5512581-A ANTIINFLAMMATORY AGENT ABBOTT LABORATORIES (US) 1996-04-30 US disclosed