SCHEMBL10696728

SCHEMBL10696728

Cc1cc(SC(Sc2cc(C)c(O)c(C)c2)Sc2cc(C)c(O)c(C)c2)cc(C)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
PTGS1 P23219 7/20 0.38
PTGS2 P35354 7/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
ALOX5 P09917 5/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
ACHE P22303 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34

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
SCHEMBL10694070 0.82 CYP2C9 (0.55) CA1CA2PTGS1PTGS2ALDH1A1
SCHEMBL14818254 0.78 CA1 (0.37) CA1CA2PTGS1PTGS2ESR1
SCHEMBL12833563 0.76 DAO (0.51) CA1CA2PTGS1PTGS2ALDH1A1
SCHEMBL70958 0.76 CA1 (0.55) CA1CA2PTGS1PTGS2ESR1
SCHEMBL8668939 0.76 CA1 (0.55) CA1CA2PTGS1PTGS2ESR1
SCHEMBL14818262 0.75 ESR1 (0.38) CA1CA2PTGS1PTGS2ESR1
SCHEMBL9638241 0.74 MMP2 (0.47) CA1CA2ESR1ESR2MAPT
SCHEMBL10888518 0.74 CA1 (0.52) CA1CA2PTGS1PTGS2ESR1
SCHEMBL10706853 0.72 CYP2C9 (0.53) CA1CA2PTGS1PTGS2ALDH1A1
SCHEMBL11871644 0.72 CA1 (0.39) CA1CA2PTGS1PTGS2ESR1

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
EP-0255478-A1 Tris(substituted hydroxyphenyl-thio)trithioorthoesters CIBA-GEIGY AG (CH) 1988-02-03 EP claimed
US-4659762-A Tris (substituted hydroxyphenylthio) trithioorthoester stabilizers for polymers CIBA-GEIGY CORPORATION (US) 1987-04-21 US claimed
EP-0255478-A1 Tris(substituted hydroxyphenyl-thio)trithioorthoesters CIBA-GEIGY AG (CH) 1988-02-03 EP disclosed
US-4659762-A Tris (substituted hydroxyphenylthio) trithioorthoester stabilizers for polymers CIBA-GEIGY CORPORATION (US) 1987-04-21 US disclosed