SCHEMBL8829447

SCHEMBL8829447

CS(=O)(=O)NC(=O)c1cccc(C[C@@H]2CCOc3ccc(OCc4ccc5ccccc5n4)cc3[C@@H]2O)c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.56
CYSLTR1 Q9Y271 5/20 0.46
CYSLTR2 Q9NS75 3/20 0.46
GPBAR1 Q8TDU6 1/20 0.43

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
SCHEMBL8829435 1.00 LTB4R (0.56) LTB4RCYSLTR1CYSLTR2GPBAR1
SCHEMBL8829431 1.00 LTB4R (0.56) LTB4RCYSLTR1CYSLTR2GPBAR1
SCHEMBL8829411 0.85 CYSLTR1 (0.59) LTB4RCYSLTR1CYSLTR2
SCHEMBL8829402 0.85 CYSLTR1 (0.59) LTB4RCYSLTR1CYSLTR2
SCHEMBL8829398 0.85 CYSLTR1 (0.59) LTB4RCYSLTR1CYSLTR2
SCHEMBL8829427 0.85 LTB4R (0.63) LTB4RCYSLTR1CYSLTR2GPBAR1
SCHEMBL8829417 0.85 LTB4R (0.63) LTB4RCYSLTR1CYSLTR2GPBAR1
SCHEMBL8829415 0.85 LTB4R (0.63) LTB4RCYSLTR1CYSLTR2GPBAR1
SCHEMBL8524172 0.82 LTB4R (0.69) LTB4RCYSLTR1CYSLTR2GPBAR1
SCHEMBL8466039 0.82 LTB4R (0.69) LTB4RCYSLTR1CYSLTR2GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0404440-B1 Substituted sulfonamides and related compounds in the treatment of asthma, arthritis, and related diseases PFIZER (US) 1997-11-05 EP disclosed
EP-0404440-A2 Substituted sulfonamides and related compounds in the treatment of asthma, arthritis, and related diseases PFIZER INC. (US) 1990-12-27 EP disclosed