SCHEMBL9034329

SCHEMBL9034329

CC(=O)c1cc(CC(=O)O)ccc1OCc1ccc2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.53
AKR1B1 P15121 1/20 0.53
CYSLTR1 Q9Y271 8/20 0.52
ALOX5 P09917 3/20 0.51
CYSLTR2 Q9NS75 4/20 0.50
GPBAR1 Q8TDU6 3/20 0.49
PPARG P37231 1/20 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
SCHEMBL9430560 0.89 ALOX5 (0.49) CYSLTR1ALOX5
SCHEMBL9033146 0.85 FFAR1 (0.54) FFAR1AKR1B1CYSLTR1ALOX5CYSLTR2
SCHEMBL9032897 0.85 FFAR1 (0.54) FFAR1AKR1B1CYSLTR1ALOX5CYSLTR2
SCHEMBL9031804 0.84 FFAR1 (0.55) FFAR1AKR1B1CYSLTR1ALOX5CYSLTR2
SCHEMBL1558239 0.84 FFAR1 (0.55) FFAR1AKR1B1CYSLTR1ALOX5CYSLTR2
SCHEMBL9034967 0.84 FFAR1 (0.55) FFAR1AKR1B1CYSLTR1ALOX5CYSLTR2
SCHEMBL9033868 0.83 FFAR1 (0.54) FFAR1AKR1B1CYSLTR1ALOX5CYSLTR2
SCHEMBL9430514 0.81 FFAR1 (0.52) FFAR1AKR1B1CYSLTR1ALOX5CYSLTR2
SCHEMBL9430772 0.81 FFAR1 (0.52) FFAR1AKR1B1CYSLTR1ALOX5CYSLTR2
SCHEMBL9431522 0.81 FFAR1 (0.51) FFAR1AKR1B1CYSLTR1ALOX5CYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0499926-B1 2-Substituted quinolines, process for their preparation as well as their use in medicaments BAYER AG (DE) 1996-09-11 EP disclosed
US-5304563-A Lipoxygenase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 1994-04-19 US disclosed
EP-0499926-A1 2-Substituted quinolines, process for their preparation as well as their use in medicaments BAYER AG (DE) 1992-08-26 EP disclosed