SCHEMBL9640469

SCHEMBL9640469

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.42
THRA P10827 3/20 0.40
PTPN7 P35236 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PPARD Q03181 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 2/20 0.37
PTPRC P08575 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN11 Q06124 1/20 0.37
PTPN13 Q12923 1/20 0.37
PTPN22 Q9Y2R2 1/20 0.37
FFAR1 O14842 2/20 0.37

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
SCHEMBL9640700 0.93 THRB (0.37) THRBTHRAPTPN7LMNASMN1; SMN2
SCHEMBL9750878 0.89 PTPN7 (0.52) THRBTHRAPTPN7SMN1; SMN2PPARD
SCHEMBL9750971 0.83 PTPN7 (0.48) THRBTHRAPTPN7SMN1; SMN2PPARD
SCHEMBL9639921 0.82 L3MBTL1 (0.38) THRBTHRALMNAMEN1KMT2A
SCHEMBL9640915 0.82 L3MBTL1 (0.38) THRBTHRALMNAMEN1KMT2A
SCHEMBL9634954 0.82 LMNA (0.45) LMNASMN1; SMN2PPARDMEN1KMT2A
SCHEMBL9640056 0.80 PLA2G7 (0.34) THRBTHRALMNASMN1; SMN2PPARD
SCHEMBL9750854 0.79 THRB (0.44) THRBTHRAMEN1KMT2AFFAR1
SCHEMBL9640620 0.78 RAB9A (0.44) THRBTHRAMEN1KMT2AKDM4E
SCHEMBL9639586 0.78 PLA2G7 (0.39) THRBTHRALMNAMRGPRX4MEN1

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
JP-2108648-A None JP disclosed
EP-0361067-B1 DISUBSTITUTED NAPHTHALINES, PREPARATION PROCESSES AND THEIR HERBICIDAL USE BAYER AG (DE) 1992-11-11 EP disclosed
US-5108489-A HERBICIDAL DISUBSTITUTED NAPHTHALENES BAYER AKTIENGESELLSCHAFT (DE) 1992-04-28 US disclosed
JP-H02108648-A DISUBSTITUTED NAPHTHALENE, ITS PREPARATION, AND ITS USE AS HERBICIDE BAYER AG 1990-04-20 JP disclosed
EP-0361067-A1 Disubstituted naphthalines, preparation processes and their herbicidal use BAYER AG (DE) 1990-04-04 EP disclosed