SCHEMBL8032646

SCHEMBL8032646

COC(=O)CCCCC1COc2ccc(OCc3ccc4ccccc4n3)cc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 5/20 0.47
CYSLTR2 Q9NS75 4/20 0.47
ALOX5AP P20292 3/20 0.44
LTB4R Q15722 1/20 0.43

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
SCHEMBL8029310 0.91 CYSLTR1 (0.55) CYSLTR1CYSLTR2ALOX5AP
SCHEMBL8029254 0.88 GPBAR1 (0.53) CYSLTR1CYSLTR2LTB4R
SCHEMBL8029108 0.84 CYSLTR1 (0.48) CYSLTR1CYSLTR2LTB4R
SCHEMBL9520446 0.81 CYSLTR1 (0.54) CYSLTR1CYSLTR2ALOX5APLTB4R
SCHEMBL8030940 0.81 ALOX5 (0.45) CYSLTR1CYSLTR2LTB4R
SCHEMBL8465764 0.80 LTB4R (0.53) CYSLTR1CYSLTR2LTB4R
SCHEMBL8461585 0.78 PDE10A (0.50) CYSLTR1CYSLTR2ALOX5APLTB4R
SCHEMBL8464766 0.78 ALOX5AP (0.49) CYSLTR1CYSLTR2ALOX5AP
SCHEMBL8464764 0.78 ALOX5AP (0.44) CYSLTR1ALOX5AP
SCHEMBL8034954 0.77 ALOX5 (0.48) CYSLTR1CYSLTR2LTB4R

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