SCHEMBL8058003

SCHEMBL8058003

CCCCCCCCOc1ccc(C2SCCCS2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
PDE4A P27815 2/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
MPO P05164 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
FDPS P14324 1/20 0.42
LMNA P02545 1/20 0.41
SMPD1 P17405 5/20 0.41
PRSS1 P07477 2/20 0.40
S1PR2 O95136 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40
PLA2G4B P0C869 1/20 0.40

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
SCHEMBL8059968 0.95 TSHR (0.47) TSHRPDE4ATHRATHRBMPO
SCHEMBL8064807 0.95 TSHR (0.53) TSHRPDE4AMPOPDE4BPDE4C
SCHEMBL3757194 0.93 TSHR (0.45) TSHRPDE4ATHRBPDE4BPDE4C
SCHEMBL8057965 0.90 TSHR (0.53) TSHRPDE4AMPOPDE4BPDE4C
SCHEMBL8059997 0.88 TSHR (0.47) TSHRPDE4AMPOPDE4BPDE4C
SCHEMBL9778782 0.85 TSHR (0.57) TSHRPDE4A
SCHEMBL8057984 0.82 TSHR (0.67) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL9778679 0.80 HIF1A (0.49) TSHRFDPS
SCHEMBL9778850 0.80 TSHR (0.57) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL9778817 0.78 TSHR (0.50) TSHRPDE4A

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
EP-1004623-A1 Aryl thioacetals useful as stabilizers in polymeric materials GREAT LAKES CHEMICAL CORPORATION (US) 2000-05-31 EP disclosed