SCHEMBL8891776

SCHEMBL8891776

O=S(=O)(Nc1cccc(CC2CCc3ccc(OCOCc4nc5cc(F)ccc5s4)cc3C2O)c1)C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.62
CYSLTR2 Q9NS75 8/20 0.62
PTGER4 P35408 2/20 0.36
ALOX5 P09917 1/20 0.35
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35

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
SCHEMBL8897245 0.87 CYSLTR1 (0.59) CYSLTR1CYSLTR2LTB4RLTB4R2
SCHEMBL8897252 0.87 CYSLTR1 (0.59) CYSLTR1CYSLTR2LTB4RLTB4R2
SCHEMBL8889148 0.83 CYSLTR1 (0.75) CYSLTR1CYSLTR2PTGER4LTB4RLTB4R2
SCHEMBL8889821 0.83 CYSLTR1 (0.75) CYSLTR1CYSLTR2PTGER4LTB4RLTB4R2
SCHEMBL8889138 0.83 CYSLTR1 (0.75) CYSLTR1CYSLTR2PTGER4LTB4RLTB4R2
SCHEMBL8898787 0.82 CYSLTR1 (0.53) CYSLTR1CYSLTR2LTB4RLTB4R2
SCHEMBL8898782 0.82 CYSLTR1 (0.53) CYSLTR1CYSLTR2LTB4RLTB4R2
SCHEMBL8888630 0.80 CYSLTR1 (0.60) CYSLTR1CYSLTR2PTGER4LTB4RLTB4R2
SCHEMBL8888621 0.80 CYSLTR1 (0.60) CYSLTR1CYSLTR2PTGER4LTB4RLTB4R2
SCHEMBL8892969 0.79 CYSLTR2 (0.45) CYSLTR1CYSLTR2LTB4RLTB4R2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5641789-A INHIBITORS OF LEUKOTRIENES AND/OR BLOCKERS OF LEUKOTRIENE RECEPTORS; USEFUL IN PREVENTION OR TREATMENT OF ASTHMA, ARTHRITIS, PSORIASIS, ULCERS, MYOCARDIAL INFARCTION PFIZER INC. (US) 1997-06-24 US disclosed