SCHEMBL8029331

SCHEMBL8029331

CCOC(=O)CCC/C=C1/COc2ccc(OCc3ccc4ccccc4n3)cc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 7/20 0.57
CYSLTR1 Q9Y271 7/20 0.57
ALOX5AP P20292 1/20 0.46
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
ALOX5 P09917 2/20 0.44
GPBAR1 Q8TDU6 1/20 0.42

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
SCHEMBL8029337 1.00 CYSLTR2 (0.57) CYSLTR2CYSLTR1ALOX5APPPARGPPARD
SCHEMBL8029106 0.89 CYSLTR1 (0.53) CYSLTR2CYSLTR1ALOX5GPBAR1
SCHEMBL8029102 0.89 CYSLTR1 (0.53) CYSLTR2CYSLTR1ALOX5GPBAR1
SCHEMBL8034925 0.81 ALOX5 (0.53) CYSLTR2CYSLTR1ALOX5GPBAR1
SCHEMBL8034921 0.81 ALOX5 (0.53) CYSLTR2CYSLTR1ALOX5GPBAR1
SCHEMBL8034999 0.79 ALOX5 (0.47) CYSLTR2CYSLTR1ALOX5GPBAR1
SCHEMBL8034993 0.79 ALOX5 (0.47) CYSLTR2CYSLTR1ALOX5GPBAR1
SCHEMBL8034997 0.79 ALOX5 (0.47) CYSLTR2CYSLTR1ALOX5GPBAR1
SCHEMBL8029126 0.78 ALOX5 (0.48) CYSLTR2CYSLTR1ALOX5APALOX5GPBAR1
SCHEMBL8029128 0.78 ALOX5 (0.48) CYSLTR2CYSLTR1ALOX5APALOX5GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6166031-A Substituted tetralins, chromans and related compounds in the treatment of asthma PFIZER INC, (US) 2000-12-26 US disclosed
WO-1989003681-A1 SUBSTITUTED TETRALINS, CHROMANS AND RELATED COMPOUNDS IN THE TREATMENT OF ASTHMA PFIZER INC. (US) 1989-05-05 WO disclosed