SCHEMBL9750971

SCHEMBL9750971

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.48
THRB P10828 3/20 0.44
PPARD Q03181 6/20 0.43
THRA P10827 2/20 0.42
MCL1 Q07820 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PPARA Q07869 2/20 0.41
FFAR1 O14842 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
PTPN1 P18031 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
PPARG P37231 1/20 0.38
AGER Q15109 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL9750878 0.93 PTPN7 (0.52) PTPN7THRBPPARDTHRAMCL1
SCHEMBL9640700 0.90 THRB (0.37) PTPN7THRBPPARDTHRASMN1; SMN2
SCHEMBL9640056 0.84 PLA2G7 (0.34) THRBPPARDTHRASMN1; SMN2FFAR1
SCHEMBL9750873 0.83 PTPN7 (0.44) PTPN7THRBPPARDTHRAMCL1
SCHEMBL9640469 0.83 THRB (0.42) PTPN7THRBPPARDTHRASMN1; SMN2
SCHEMBL8382590 0.83 MEN1 (0.47) THRBPPARDTHRAPPARAFFAR1
SCHEMBL9645027 0.81 PTPN7 (0.47) PTPN7THRBPPARDTHRAMCL1
SCHEMBL9634929 0.81 RAB9A (0.41) THRBTHRAMEN1KMT2A
SCHEMBL10441387 0.81 TLR7 (0.35) THRBTHRAFFAR1MEN1KMT2A
SCHEMBL11183469 0.81 THRB (0.52) THRBPPARDTHRAMCL1SMN1; SMN2

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