SCHEMBL9640915

SCHEMBL9640915

CCOC(=O)CO/N=C(\C)COc1ccc2ccc(Oc3c(Cl)cc(C(F)(F)F)cc3Cl)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 4/20 0.36
THRB P10828 3/20 0.36
THRA P10827 2/20 0.36
PLA2G7 Q13093 1/20 0.36
GAA P10253 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
MCL1 Q07820 1/20 0.35
IDH1 O75874 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
P2RY12 Q9H244 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
SCHEMBL9639921 1.00 L3MBTL1 (0.38) L3MBTL1KDM4EALDH1A1THRBTHRA
SCHEMBL9639586 0.95 PLA2G7 (0.39) L3MBTL1KDM4EALDH1A1THRBTHRA
SCHEMBL9654687 0.84 PLA2G7 (0.39) KDM4EALDH1A1THRBTHRAPLA2G7
SCHEMBL9654696 0.84 PLA2G7 (0.39) KDM4EALDH1A1THRBTHRAPLA2G7
SCHEMBL9640469 0.82 THRB (0.42) KDM4EALDH1A1THRBTHRAMEN1
SCHEMBL9750878 0.79 PTPN7 (0.52) THRBTHRAMCL1MEN1KMT2A
SCHEMBL9640056 0.79 PLA2G7 (0.34) KDM4ETHRBTHRAPLA2G7LMNA
SCHEMBL9640700 0.78 THRB (0.37) KDM4ETHRBTHRAPLA2G7MEN1
SCHEMBL9634558 0.76 KMT2A (0.43) L3MBTL1ALDH1A1THRBTHRAGAA
SCHEMBL9644063 0.76 KMT2A (0.43) L3MBTL1ALDH1A1THRBTHRAGAA

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-5108489-A HERBICIDAL DISUBSTITUTED NAPHTHALENES BAYER AKTIENGESELLSCHAFT (DE) 1992-04-28 US claimed