SCHEMBL4688152

SCHEMBL4688152

O=C(O)CCSC1c2ccncc2CCc2ccc(OCc3ccc4cc(F)c(Cl)cc4n3)cc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 5/20 0.36
CYSLTR1 Q9Y271 5/20 0.36
ALOX5AP P20292 3/20 0.34
FFAR1 O14842 1/20 0.33
AKR1B1 P15121 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGAV P06756 1/20 0.32
LTB4R Q15722 1/20 0.32

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
SCHEMBL4051700 0.96 CYSLTR2 (0.38) CYSLTR2CYSLTR1ALOX5APFFAR1AKR1B1
SCHEMBL4059423 0.94 CYSLTR2 (0.38) CYSLTR2CYSLTR1ALOX5APFFAR1AKR1B1
SCHEMBL4049859 0.90 CYSLTR2 (0.40) CYSLTR2CYSLTR1ALOX5APFFAR1AKR1B1
SCHEMBL4052136 0.88 CYSLTR2 (0.36) CYSLTR2CYSLTR1ALOX5APFFAR1AKR1B1
SCHEMBL4059466 0.84 PDE4A (0.33) ALOX5APFFAR4
SCHEMBL4052958 0.81 CYSLTR2 (0.39) CYSLTR2CYSLTR1ALOX5APFFAR1AKR1B1
SCHEMBL14159715 0.81 ALOX5AP (0.34) CYSLTR2CYSLTR1ALOX5AP
SCHEMBL4055033 0.81 ALOX5AP (0.35) CYSLTR2CYSLTR1ALOX5APFFAR1AKR1B1
SCHEMBL5331476 0.80 TBXA2R (0.42)
SCHEMBL5335837 0.80 CYSLTR1 (0.39) CYSLTR2CYSLTR1ALOX5APFFAR1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
EP-1560834-B1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS ALMIRALL LAB (ES) 2008-06-25 EP disclosed
EP-1560834-A1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2005-08-10 EP disclosed
WO-2004043966-A1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS ALMIRALL PRODESFARMA S.A. (ES) 2004-05-27 WO disclosed