SCHEMBL8465734

SCHEMBL8465734

COC(=O)c1cccc(C[C@H]2COc3ccc(OCc4ccccn4)cc3[C@@H]2O)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 2/20 0.55
CYSLTR2 Q9NS75 1/20 0.55
LTB4R Q15722 14/20 0.53
LTB4R2 Q9NPC1 5/20 0.47
USP2 O75604 1/20 0.44
CYP3A4 P08684 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
SCHEMBL8465586 1.00 CYSLTR1 (0.55) CYSLTR1CYSLTR2LTB4RLTB4R2USP2
SCHEMBL8465588 1.00 CYSLTR1 (0.55) CYSLTR1CYSLTR2LTB4RLTB4R2USP2
SCHEMBL8465579 1.00 CYSLTR1 (0.55) CYSLTR1CYSLTR2LTB4RLTB4R2USP2
SCHEMBL8462733 0.91 CYSLTR1 (0.64) CYSLTR1CYSLTR2LTB4RLTB4R2
SCHEMBL8462737 0.91 CYSLTR1 (0.64) CYSLTR1CYSLTR2LTB4RLTB4R2
SCHEMBL8462745 0.91 CYSLTR1 (0.64) CYSLTR1CYSLTR2LTB4RLTB4R2
SCHEMBL8466039 0.87 LTB4R (0.69) CYSLTR1CYSLTR2LTB4R
SCHEMBL8464461 0.87 LTB4R (0.69) CYSLTR1CYSLTR2LTB4R
SCHEMBL8524172 0.87 LTB4R (0.69) CYSLTR1CYSLTR2LTB4R
SCHEMBL8524170 0.87 LTB4R (0.69) 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 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