SCHEMBL8029294

SCHEMBL8029294

O[C@H]1c2cc(OCc3ccc4ccccc4n3)ccc2OC[C@@H]1OC1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.59
PDE10A Q9Y233 1/20 0.47
ALOX5 P09917 3/20 0.46
CYSLTR1 Q9Y271 3/20 0.44
GPBAR1 Q8TDU6 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CYSLTR2 Q9NS75 1/20 0.43
ALOX5AP P20292 2/20 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
SCHEMBL8029296 1.00 LTB4R (0.59) LTB4RPDE10AALOX5CYSLTR1GPBAR1
SCHEMBL8029290 1.00 LTB4R (0.59) LTB4RPDE10AALOX5CYSLTR1GPBAR1
SCHEMBL8465612 0.85 LTB4R (0.63) LTB4RPDE10ACYSLTR1GPBAR1CYSLTR2
SCHEMBL8465168 0.85 LTB4R (0.63) LTB4RPDE10ACYSLTR1GPBAR1CYSLTR2
SCHEMBL8466100 0.85 LTB4R (0.63) LTB4RPDE10ACYSLTR1GPBAR1CYSLTR2
SCHEMBL8466099 0.85 LTB4R (0.63) LTB4RPDE10ACYSLTR1GPBAR1CYSLTR2
SCHEMBL8464738 0.84 LTB4R (0.60) LTB4RPDE10ACYSLTR1GPBAR1CYSLTR2
SCHEMBL8464747 0.84 LTB4R (0.60) LTB4RPDE10ACYSLTR1GPBAR1CYSLTR2
SCHEMBL8464750 0.84 LTB4R (0.60) LTB4RPDE10ACYSLTR1GPBAR1CYSLTR2
SCHEMBL8034958 0.84 LTB4R (0.62) LTB4RPDE10AALOX5CYSLTR1GPBAR1

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
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
EP-0313296-A2 Substituted chromans and related compounds in the treatment of asthma PFIZER INC. (US) 1989-04-26 EP disclosed