SCHEMBL9575360

SCHEMBL9575360

O=S(=O)(Oc1ccc(C(c2ccc(OS(=O)(=O)c3ccc(Br)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
ENPP3 O14638 8/20 0.42
ENPP1 P22413 7/20 0.42
ENPP2 Q13822 4/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
CA5A P35218 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
PTPN1 P18031 1/20 0.39
KIF11 P52732 1/20 0.37
APEX1 P27695 1/20 0.36
HSD11B1 P28845 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
SCHEMBL3843869 0.84 ENPP1 (0.47) CA1CA2CA9ENPP3ENPP1
SCHEMBL9309750 0.84 ALDH1A1 (0.58) CA1CA2CA9ENPP3ENPP1
SCHEMBL3839185 0.84 TDP1 (0.57) CA1CA2CA9ENPP3ENPP1
SCHEMBL3671873 0.75 ESR1 (0.56) CA1CA2CA9ALDH1A1CA5A
SCHEMBL18359536 0.75 MEN1 (0.53) CA1CA2CA9ENPP3ENPP1
SCHEMBL4195648 0.75 MEN1 (0.53) CA1CA2CA9ENPP3ENPP1
SCHEMBL9575552 0.74 PTPN1 (0.39) MEN1ALDH1A1MAPTKMT2ATDP1
SCHEMBL3844716 0.74 CA2 (0.48) CA1CA2CA9PTPN1KIF11
SCHEMBL17230447 0.74 CA2 (0.48) CA1CA2CA9ENPP3ENPP1
SCHEMBL27428841 0.74 TDP1 (0.67) CA1CA2CA9ENPP3ENPP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0278414-B1 PROCESS FOR THE PREPARATION OF REACTION PRODUCTS OF 2,2-BIS (4-HYDROXYPHENYL) HEXAFLUOROPROPANE, AND THE DERIVATIVES OBTAINED HOECHST AKTIENGESELLSCHAFT (DE) 1993-08-11 EP claimed
EP-0278414-A2 Process for the preparation of reaction products of 2,2-bis (4-hydroxyphenyl) hexafluoropropane, and the derivatives obtained HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-17 EP claimed
EP-0278414-B1 PROCESS FOR THE PREPARATION OF REACTION PRODUCTS OF 2,2-BIS (4-HYDROXYPHENYL) HEXAFLUOROPROPANE, AND THE DERIVATIVES OBTAINED HOECHST AKTIENGESELLSCHAFT (DE) 1993-08-11 EP disclosed
US-5028728-A Process for the preparation of reaction products of 2,2-bis-(4-hydroxphenyl)-hexafluoropropane and new derivatives of this type HOECHST AKTIENGESELLSCHAFT (DE) 1991-07-02 US disclosed
EP-0278414-A2 Process for the preparation of reaction products of 2,2-bis (4-hydroxyphenyl) hexafluoropropane, and the derivatives obtained HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-17 EP disclosed