SCHEMBL8465452

SCHEMBL8465452

O=C1c2cc(OCc3ccc4ccccc4n3)ccc2OCC1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.50
ALOX5 P09917 1/20 0.49
CYSLTR1 Q9Y271 5/20 0.46
GPBAR1 Q8TDU6 2/20 0.46
PDE10A Q9Y233 1/20 0.46
CYSLTR2 Q9NS75 1/20 0.46

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
SCHEMBL8465764 0.86 LTB4R (0.53) LTB4RALOX5CYSLTR1GPBAR1PDE10A
SCHEMBL8032653 0.86 ALOX5 (0.47) LTB4RALOX5CYSLTR1GPBAR1PDE10A
SCHEMBL8029286 0.83 ALOX5 (0.46) LTB4RALOX5CYSLTR1GPBAR1PDE10A
SCHEMBL8461917 0.82 ALOX5 (0.49) LTB4RALOX5CYSLTR1GPBAR1PDE10A
SCHEMBL8523093 0.82 LTB4R (0.55) LTB4RALOX5CYSLTR1GPBAR1PDE10A
SCHEMBL8034954 0.81 ALOX5 (0.48) LTB4RALOX5CYSLTR1GPBAR1PDE10A
SCHEMBL8466345 0.79 LTB4R (0.66) LTB4RALOX5PDE10A
SCHEMBL8464264 0.79 LTB4R (0.66) LTB4RALOX5PDE10A
SCHEMBL8464260 0.79 LTB4R (0.66) LTB4RALOX5PDE10A
SCHEMBL8461585 0.79 PDE10A (0.50) LTB4RALOX5CYSLTR1GPBAR1PDE10A

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-5998451-A LIPOXYGENASE INHIBITORS PFIZER INC (US) 1999-12-07 US disclosed
EP-0313295-B1 SUBSTITUTED TETRALINS, CHROMANS AND RELATED COMPOUNDS IN THE TREATMENT OF ASTHMA, ARTHRITIS AND RELATED DISEASES PFIZER INC. (US) 1993-07-28 EP disclosed
US-5059609-A Lipoxygenase inhibitors; leukotriene receptor blockers; psoriasis; antiulcer agents and myocardial infarctions PFIZER INC. (US) 1991-10-22 US disclosed
EP-0313295-A2 Substituted tetralins, chromans and related compounds in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1989-04-26 EP disclosed