SCHEMBL8889712

SCHEMBL8889712

O=S(=O)(Nc1cccc(CC2COc3ccc(OCc4nc5cc(F)c(F)cc5s4)cc3C2)c1)C(F)(F)F.[Na]

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 11/20 0.56
CYSLTR2 Q9NS75 8/20 0.56
PPARD Q03181 1/20 0.34
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL8889592 0.99 CYSLTR1 (0.56) CYSLTR1CYSLTR2PPARDCA1CA2
SCHEMBL8889705 0.99 CYSLTR1 (0.56) CYSLTR1CYSLTR2PPARDCA1CA2
SCHEMBL8888199 0.85 CYSLTR1 (0.64) CYSLTR1CYSLTR2
SCHEMBL8888465 0.85 CYSLTR1 (0.64) CYSLTR1CYSLTR2
SCHEMBL8888459 0.85 CYSLTR1 (0.64) CYSLTR1CYSLTR2
SCHEMBL8888621 0.81 CYSLTR1 (0.60) CYSLTR1CYSLTR2
SCHEMBL8888630 0.81 CYSLTR1 (0.60) CYSLTR1CYSLTR2
SCHEMBL8889330 0.80 CYSLTR1 (0.58) CYSLTR1CYSLTR2
SCHEMBL8899909 0.79 CYSLTR1 (0.51) CYSLTR1CYSLTR2
SCHEMBL8897640 0.79 CYSLTR1 (0.52) CYSLTR1CYSLTR2

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