SCHEMBL8465997

SCHEMBL8465997

O[C@@H]1c2cc(OCc3ccc4ccccc4n3)ccc2CC[C@H]1Oc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 8/20 0.54
CYSLTR2 Q9NS75 5/20 0.54
GPBAR1 Q8TDU6 4/20 0.50
PDE10A Q9Y233 1/20 0.48
ALOX5AP P20292 2/20 0.48
ALOX5 P09917 2/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL8466002 1.00 CYSLTR1 (0.54) CYSLTR1CYSLTR2GPBAR1PDE10AALOX5AP
SCHEMBL8462779 0.84 LTB4R (0.59) CYSLTR1CYSLTR2GPBAR1PDE10AALOX5
SCHEMBL8463992 0.84 LTB4R (0.59) CYSLTR1CYSLTR2GPBAR1PDE10AALOX5
SCHEMBL8466275 0.83 LTB4R (0.58) CYSLTR1CYSLTR2GPBAR1PDE10AALOX5AP
SCHEMBL8462851 0.83 LTB4R (0.58) CYSLTR1CYSLTR2GPBAR1PDE10AALOX5AP
SCHEMBL8348060 0.82 ALOX5 (0.38) CYSLTR1CYSLTR2ALOX5APALOX5
SCHEMBL8348055 0.82 ALOX5 (0.38) CYSLTR1CYSLTR2ALOX5APALOX5
SCHEMBL8348051 0.82 ALOX5 (0.38) CYSLTR1CYSLTR2ALOX5APALOX5
Hydrochloric Acid SCHEMBL8465772 0.82 LTB4R (0.57) CYSLTR1CYSLTR2GPBAR1PDE10AALOX5AP
Hydrochloric Acid SCHEMBL8465778 0.82 LTB4R (0.57) CYSLTR1CYSLTR2GPBAR1PDE10AALOX5AP

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-5998451-A LIPOXYGENASE INHIBITORS PFIZER INC (US) 1999-12-07 US 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