SCHEMBL9640700

SCHEMBL9640700

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.37
TLR7 Q9NYK1 1/20 0.37
PLA2G7 Q13093 5/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTPN7 P35236 1/20 0.36
THRA P10827 1/20 0.36
PPARD Q03181 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TLR8 Q9NR97 1/20 0.35
PTPRC P08575 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN11 Q06124 1/20 0.35
PTPN13 Q12923 1/20 0.35
PTPN22 Q9Y2R2 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
SCHEMBL9640469 0.93 THRB (0.42) THRBLMNASMN1; SMN2PTPN7THRA
SCHEMBL9750971 0.90 PTPN7 (0.48) THRBSMN1; SMN2PTPN7THRAPPARD
SCHEMBL9640056 0.87 PLA2G7 (0.34) THRBTLR7PLA2G7LMNASMN1; SMN2
SCHEMBL9639586 0.84 PLA2G7 (0.39) THRBPLA2G7LMNATHRAMRGPRX4
SCHEMBL9750878 0.83 PTPN7 (0.52) THRBSMN1; SMN2PTPN7THRAPPARD
SCHEMBL9644988 0.80 MEN1 (0.39) THRBTLR7LMNASMN1; SMN2THRA
SCHEMBL10441387 0.80 TLR7 (0.35) THRBTLR7PLA2G7THRAMEN1
SCHEMBL9634929 0.80 RAB9A (0.41) THRBTLR7THRAMEN1KMT2A
SCHEMBL9750855 0.79 KMT2A (0.40) THRBTLR7PLA2G7LMNATHRA
SCHEMBL9489900 0.79 FFAR1 (0.44) THRBTLR7LMNASMN1; SMN2THRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0361067-A1 Disubstituted naphthalines, preparation processes and their herbicidal use BAYER AG (DE) 1990-04-04 EP disclosed