SCHEMBL4059466

SCHEMBL4059466

O=C(O)CCSC1c2ccncc2CCc2ccc(OCc3cc(F)c4ccc(Cl)cc4n3)cc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE10A Q9Y233 1/20 0.33
ALOX5AP P20292 1/20 0.32
NR4A2 P43354 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
KDM4C Q9H3R0 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR5 Q9H228 1/20 0.30

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
SCHEMBL4061187 0.88 PDE4A (0.31) PDE4APDE4BPDE10ANR4A2PPARD
SCHEMBL4688152 0.84 CYSLTR2 (0.36) ALOX5APFFAR4
SCHEMBL4059423 0.84 CYSLTR2 (0.38) ALOX5APFFAR4
SCHEMBL4051700 0.80 CYSLTR2 (0.38) ALOX5APFFAR4
SCHEMBL4049859 0.80 CYSLTR2 (0.40) ALOX5APFFAR4
SCHEMBL4052136 0.73 CYSLTR2 (0.36) PDE10AALOX5AP
SCHEMBL4052958 0.72 CYSLTR2 (0.39) PDE10AALOX5AP
SCHEMBL7806623 0.69 TBXA2R (0.42)
SCHEMBL7802326 0.68 TBXA2R (0.44)
SCHEMBL7801407 0.68 TBXA2R (0.43)

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-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed