SCHEMBL9750878

SCHEMBL9750878

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.52
THRB P10828 6/20 0.50
THRA P10827 5/20 0.47
PPARD Q03181 3/20 0.46
MCL1 Q07820 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
PPARA Q07869 1/20 0.44
FFAR1 O14842 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
PTPN1 P18031 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
CYP2C19 P33261 1/20 0.40
AGER Q15109 1/20 0.40

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 0.93 PTPN7 (0.48) PTPN7THRBTHRAPPARDMCL1
SCHEMBL9640469 0.89 THRB (0.42) PTPN7THRBTHRAPPARDSMN1; SMN2
SCHEMBL11183469 0.88 THRB (0.52) THRBTHRAPPARDMCL1SMN1; SMN2
SCHEMBL9750924 0.85 PTPN7 (0.49) PTPN7THRBTHRAPPARDMCL1
SCHEMBL9645027 0.83 PTPN7 (0.47) PTPN7THRBTHRAPPARDMCL1
SCHEMBL9640700 0.83 THRB (0.37) PTPN7THRBTHRAPPARDSMN1; SMN2
SCHEMBL10348647 0.82 FFAR1 (0.58) THRBTHRAPPARDSMN1; SMN2PPARA
SCHEMBL9711426 0.82 PTPN7 (0.48) PTPN7THRBTHRAPPARDMCL1
SCHEMBL9634954 0.80 LMNA (0.45) PPARDSMN1; SMN2PPARAMEN1KMT2A
SCHEMBL9711432 0.80 PTPN7 (0.46) PTPN7THRBTHRAPPARDMCL1

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