SCHEMBL4059330

SCHEMBL4059330

O=C(O)CCSC1c2cc(CCc3ccc4cc(F)c(F)cc4n3)ccc2OCc2cccnc21

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.36
TBXA2R P21731 7/20 0.36
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL4226154 0.87 CYSLTR2 (0.38) TBXAS1TBXA2R
SCHEMBL4052445 0.83 LTB4R (0.32)
SCHEMBL4231281 0.82 CYSLTR1 (0.36) TBXAS1TBXA2R
SCHEMBL4231288 0.82 CYSLTR1 (0.36) TBXAS1TBXA2R
SCHEMBL4054249 0.76 CYSLTR2 (0.38) TBXAS1TBXA2R
SCHEMBL4230528 0.75 CYSLTR2 (0.37) TBXAS1TBXA2R
SCHEMBL4060896 0.73 CALCA (0.33)
SCHEMBL7808169 0.73 FFAR1 (0.36) TBXA2RFFAR4
SCHEMBL4748814 0.72 LTB4R (0.38) TBXAS1
SCHEMBL4052827 0.72 CYSLTR1 (0.39) TBXAS1TBXA2R

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 4 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
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