SCHEMBL8941635

SCHEMBL8941635

O=S(=O)(c1ccccc1Oc1ccc(Oc2ccc(Oc3ccccc3S(=O)(=O)C(F)(F)C(F)(F)F)cc2)cc1)C(F)(F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.41
EPAS1 Q99814 2/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CA12 O43570 1/20 0.37
CASP1 P29466 3/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
VEGFA P15692 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MRGPRX1 Q96LB2 1/20 0.36
SOS1 Q07889 2/20 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
SCHEMBL8941636 0.80 HTT (0.44) PTPN1EPAS1PTGS1PTGS2HTT
SCHEMBL9778980 0.75 CA1 (0.45) EPAS1CA1CA2CA9CASP1
SCHEMBL8941637 0.74 PTPRZ1 (0.49) PTPN1EPAS1HTTALDH1A1MAPK1
SCHEMBL8855056 0.73 CA1 (0.46) EPAS1CA1CA2CA9CASP1
SCHEMBL8941549 0.71 SOS1 (0.49) CA1CA2CA9HTTALDH1A1
SCHEMBL3870764 0.71 CA1 (0.44) EPAS1CA1CA2CA9CASP1
SCHEMBL6820329 0.71 CA1 (0.51) CA1CA2CA9CA12L3MBTL1
SCHEMBL7998942 0.71 SLC6A4 (0.51) PTGS2HTTALDH1A1MAPK1L3MBTL1
SCHEMBL9242715 0.70 CASP1 (0.49) CA1CA2CA9CASP1HTT
SCHEMBL5919462 0.70 CASP1 (0.43) CA1CA2CA9CASP1PTGS1

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