SCHEMBL4054596

SCHEMBL4054596

O=C(O)CCSC1c2cc(/C=C/c3ccc4cc(F)c(F)cc4n3)ccc2C=Cc2ncccc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 6/20 0.38
CYSLTR2 Q9NS75 5/20 0.38
ABCC1 P33527 2/20 0.34
MEN1 O00255 1/20 0.34
ABCC3 O15438 1/20 0.34
ABCC4 O15439 1/20 0.34
ABCC5 O15440 1/20 0.34
SLCO2B1 O94956 1/20 0.34
ABCB11 O95342 1/20 0.34
KMT2A Q03164 1/20 0.34
ABCC2 Q92887 1/20 0.34
SLCO1B3 Q9NPD5 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
PIM1 P11309 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
SCHEMBL4054597 1.00 CYSLTR1 (0.38) CYSLTR1CYSLTR2ABCC1MEN1ABCC3
SCHEMBL13765251 0.94 CYSLTR1 (0.39) CYSLTR1CYSLTR2ABCC1MEN1ABCC3
SCHEMBL5332207 0.90 CYSLTR1 (0.41) CYSLTR1CYSLTR2ABCC1MEN1ABCC3
SCHEMBL5332200 0.90 CYSLTR1 (0.41) CYSLTR1CYSLTR2ABCC1MEN1ABCC3
SCHEMBL4049713 0.87 CYSLTR1 (0.39) CYSLTR1CYSLTR2ABCC1MEN1ABCC3
SCHEMBL4049710 0.87 CYSLTR1 (0.39) CYSLTR1CYSLTR2ABCC1MEN1ABCC3
SCHEMBL4055234 0.87 CYSLTR1 (0.38) CYSLTR1CYSLTR2ABCC1MEN1ABCC3
SCHEMBL4055232 0.87 CYSLTR1 (0.38) CYSLTR1CYSLTR2ABCC1MEN1ABCC3
SCHEMBL4060340 0.86 CYSLTR1 (0.37) CYSLTR1CYSLTR2MEN1ABCB11KMT2A
SCHEMBL13765250 0.86 CYSLTR1 (0.37) CYSLTR1CYSLTR2MEN1ABCB11KMT2A

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 3 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