SCHEMBL9828397

SCHEMBL9828397

CC(=O)Oc1ccccc1CCc1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.64
AKR1B1 P15121 1/20 0.64
CYSLTR1 Q9Y271 11/20 0.60
CYSLTR2 Q9NS75 9/20 0.60
ALOX5 P09917 2/20 0.58
GPBAR1 Q8TDU6 1/20 0.56
PDE10A Q9Y233 2/20 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
SCHEMBL9828722 0.90 ALOX5 (0.59) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5
SCHEMBL9026288 0.86 GPBAR1 (0.69) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5
SCHEMBL16979262 0.85 MEN1 (0.53) FFAR1AKR1B1CYSLTR1CYSLTR2GPBAR1
SCHEMBL9828391 0.82 FFAR1 (0.73) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5
SCHEMBL22209124 0.82 FFAR1 (0.80) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5
SCHEMBL25435433 0.80 GPBAR1 (0.56) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5
SCHEMBL8834916 0.79 FFAR1 (0.83) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5
SCHEMBL6088901 0.78 GPBAR1 (0.56) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5
SCHEMBL8709593 0.78 FFAR1 (0.81) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5
SCHEMBL9031334 0.77 GPBAR1 (0.61) FFAR1AKR1B1CYSLTR1CYSLTR2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5051427-A Antiinflammatory agents and antiallergens RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-09-24 US disclosed
EP-0395697-A4 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? 1991-03-13 EP disclosed
EP-0395697-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4 RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1990-11-07 EP disclosed
WO-1989004303-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO disclosed