SCHEMBL8032653

SCHEMBL8032653

CC(C)OC1COc2ccc(OCc3ccc4ccccc4n3)cc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.47
LTB4R Q15722 4/20 0.47
PDE10A Q9Y233 2/20 0.47
GPBAR1 Q8TDU6 4/20 0.46
CYSLTR1 Q9Y271 3/20 0.46
CYSLTR2 Q9NS75 1/20 0.46
ALOX5AP P20292 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL8034954 0.87 ALOX5 (0.48) ALOX5LTB4RPDE10AGPBAR1CYSLTR1
SCHEMBL8465452 0.86 LTB4R (0.50) ALOX5LTB4RPDE10AGPBAR1CYSLTR1
SCHEMBL8029286 0.84 ALOX5 (0.46) ALOX5LTB4RPDE10AGPBAR1CYSLTR1
SCHEMBL8523093 0.83 LTB4R (0.55) ALOX5LTB4RPDE10AGPBAR1CYSLTR1
SCHEMBL8461917 0.81 ALOX5 (0.49) ALOX5LTB4RPDE10AGPBAR1CYSLTR1
SCHEMBL8465764 0.81 LTB4R (0.53) ALOX5LTB4RPDE10AGPBAR1CYSLTR1
SCHEMBL8029254 0.80 GPBAR1 (0.53) ALOX5LTB4RPDE10AGPBAR1CYSLTR1
SCHEMBL8461585 0.79 PDE10A (0.50) ALOX5LTB4RPDE10AGPBAR1CYSLTR1
SCHEMBL8464766 0.79 ALOX5AP (0.49) ALOX5GPBAR1CYSLTR1CYSLTR2ALOX5AP
SCHEMBL9520559 0.79 PDE10A (0.49) ALOX5LTB4RPDE10AGPBAR1CYSLTR1

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-6166031-A Substituted tetralins, chromans and related compounds in the treatment of asthma PFIZER INC, (US) 2000-12-26 US disclosed
EP-0313296-B1 Substituted chromans and related compounds in the treatment of asthma PFIZER (US) 1993-12-29 EP disclosed
WO-1989003681-A1 SUBSTITUTED TETRALINS, CHROMANS AND RELATED COMPOUNDS IN THE TREATMENT OF ASTHMA PFIZER INC. (US) 1989-05-05 WO disclosed
EP-0313296-A2 Substituted chromans and related compounds in the treatment of asthma PFIZER INC. (US) 1989-04-26 EP disclosed