SCHEMBL9750873

SCHEMBL9750873

O=C(O)COc1ccc2ccc(Oc3c(F)cc(S(=O)(=O)C(F)(F)F)cc3Cl)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.44
MCL1 Q07820 1/20 0.39
ALDH1A1 P00352 1/20 0.37
RAPGEF3 O95398 1/20 0.37
CA2 P00918 1/20 0.36
EPAS1 Q99814 3/20 0.36
THRB P10828 6/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.36
THRA P10827 5/20 0.35
PTPN1 P18031 1/20 0.35
FFAR1 O14842 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL9750971 0.83 PTPN7 (0.48) PTPN7MCL1THRBPTGDR2THRA
SCHEMBL9750878 0.78 PTPN7 (0.52) PTPN7MCL1THRBPTGDR2THRA
SCHEMBL9645027 0.76 PTPN7 (0.47) PTPN7MCL1THRBPTGDR2THRA
SCHEMBL9750924 0.75 PTPN7 (0.49) PTPN7MCL1THRBTHRAPPARD
SCHEMBL9640700 0.74 THRB (0.37) PTPN7THRBTHRAPTPN1PPARD
SCHEMBL9711432 0.73 PTPN7 (0.46) PTPN7MCL1THRBPTGDR2THRA
SCHEMBL9711426 0.73 PTPN7 (0.48) PTPN7MCL1THRBPTGDR2THRA
SCHEMBL9640469 0.68 THRB (0.42) PTPN7ALDH1A1THRBTHRAPTPN1
SCHEMBL9640056 0.68 PLA2G7 (0.34) THRBTHRAFFAR1PPARD
SCHEMBL23832462 0.68 PTPN7 (0.70) PTPN7MCL1PTGDR2PPARGPPARD

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-5041609-A Plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1991-08-20 US claimed