SCHEMBL9033868

SCHEMBL9033868

CCCc1cc(CC(=O)O)ccc1OCc1ccc2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.54
AKR1B1 P15121 1/20 0.54
CYSLTR1 Q9Y271 10/20 0.51
CYSLTR2 Q9NS75 6/20 0.51
PPARG P37231 1/20 0.51
ALOX5 P09917 2/20 0.49
GPBAR1 Q8TDU6 1/20 0.47

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
SCHEMBL9032897 0.92 FFAR1 (0.54) FFAR1AKR1B1CYSLTR1CYSLTR2PPARG
SCHEMBL9431271 0.90 ALOX5 (0.47) FFAR1AKR1B1CYSLTR1PPARGALOX5
SCHEMBL9431066 0.85 ALOX5 (0.44) FFAR1AKR1B1CYSLTR1CYSLTR2PPARG
SCHEMBL9430827 0.85 FFAR1 (0.51) FFAR1AKR1B1CYSLTR1CYSLTR2PPARG
SCHEMBL9033146 0.84 FFAR1 (0.54) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5
SCHEMBL9034329 0.83 FFAR1 (0.53) FFAR1AKR1B1CYSLTR1CYSLTR2PPARG
SCHEMBL9031804 0.82 FFAR1 (0.55) FFAR1AKR1B1CYSLTR1CYSLTR2PPARG
SCHEMBL1558239 0.82 FFAR1 (0.55) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5
SCHEMBL9034967 0.82 FFAR1 (0.55) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5
SCHEMBL9430715 0.82 ALOX5 (0.50) FFAR1AKR1B1CYSLTR1ALOX5

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