SCHEMBL8941547

SCHEMBL8941547

O=S(=O)(c1ccc(Oc2cccc(-c3ccc(Oc4ccc(-c5cccc(Oc6ccc(S(=O)(=O)C(F)(F)C(F)(F)F)cc6)c5)c(Oc5ccccc5)c4)cc3Oc3ccccc3)c2)cc1)C(F)(F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SDHB P21912 1/20 0.43
PTGS2 P35354 1/20 0.41
BCL2L1 Q07817 3/20 0.39
MCL1 Q07820 3/20 0.39
GSTP1 P09211 1/20 0.39
SOS1 Q07889 1/20 0.39
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
AR P10275 1/20 0.39
ESR2 Q92731 1/20 0.39
EPAS1 Q99814 2/20 0.38
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
RXRA P19793 1/20 0.38
PDK2 Q15119 1/20 0.37
PTPN1 P18031 1/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
MAOA P21397 1/20 0.36

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
SCHEMBL8941535 0.87 SDHB (0.42) SDHBPTGS2BCL2L1MCL1SOS1
SCHEMBL8941549 0.86 SOS1 (0.49) SDHBSOS1NR3C1PGRAR
SCHEMBL8941672 0.77 SOS1 (0.51) SDHBSOS1NR3C1PGRAR
SCHEMBL8941636 0.77 HTT (0.44) PTGS2SOS1EPAS1PTPN1HTT
SCHEMBL8941637 0.77 PTPRZ1 (0.49) SOS1EPAS1PTPN1HTTSMN1; SMN2
SCHEMBL19845789 0.74 CYP1A1 (0.51) BCL2L1MCL1GSTP1NR1H2SMN1; SMN2
SCHEMBL8941541 0.74 PTPRZ1 (0.51) SOS1NR3C1PGRARESR2
SCHEMBL8941500 0.74 PTPRZ1 (0.51) SOS1NR3C1PGRARESR2
SCHEMBL9842743 0.73 GSTP1 (0.57) PTGS2GSTP1ARNR1H2MAOA
SCHEMBL8941531 0.72 PTPRZ1 (0.50) BCL2L1MCL1GSTP1SOS1PTPN1

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-5480568-A FOR LUBRICATING METAL CONTAINING SURFACES THE DOW CHEMICAL COMPANY (US) 1996-01-02 US disclosed