SCHEMBL10694503

SCHEMBL10694503

Cc1c(CC(=O)O)cccc1OCc1ccc2ccccc2n1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.52
GPBAR1 Q8TDU6 3/20 0.52
CYSLTR2 Q9NS75 7/20 0.51
FFAR1 O14842 1/20 0.50
AKR1B1 P15121 1/20 0.50
ALOX5 P09917 2/20 0.48

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
SCHEMBL7593150 0.89 GPBAR1 (0.56) CYSLTR1GPBAR1CYSLTR2FFAR1AKR1B1
SCHEMBL10696449 0.87 CYSLTR1 (0.48) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL9636913 0.83 CYSLTR1 (0.58) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7710953 0.83 CYSLTR1 (0.53) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7452392 0.80 CYSLTR1 (0.54) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6089876 0.79 GPBAR1 (0.68) CYSLTR1GPBAR1CYSLTR2FFAR1AKR1B1
SCHEMBL7808139 0.79 CYSLTR1 (0.56) CYSLTR1GPBAR1CYSLTR2FFAR1AKR1B1
SCHEMBL7921075 0.79 GPBAR1 (0.53) CYSLTR1GPBAR1CYSLTR2FFAR1AKR1B1
SCHEMBL6090813 0.79 CYSLTR1 (0.69) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL9847314 0.78 CYSLTR1 (0.58) CYSLTR1GPBAR1CYSLTR2

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-4769461-A Quinolinyl benzene hydroxamic acids as anti-inflammatory/antiallergic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1988-09-06 US disclosed