SCHEMBL7795066

SCHEMBL7795066

CO/C=C(\C#CCO/N=C(/C)c1cccc(C(F)(F)F)c1)C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 2/20 0.41
POLB P06746 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
CES2 O00748 1/20 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
SCHEMBL7795069 1.00 KMT2A (0.45) KMT2AMEN1GAAPOLBKDM4E
SCHEMBL7795467 0.84 KMT2A (0.46) KMT2AMEN1GAAPOLBKDM4E
SCHEMBL7795465 0.84 KMT2A (0.46) KMT2AMEN1GAAPOLBKDM4E
SCHEMBL7795045 0.79 KMT2A (0.45) KMT2AMEN1GAAPOLBNPSR1
SCHEMBL7795047 0.79 KMT2A (0.45) KMT2AMEN1GAAPOLBNPSR1
SCHEMBL23972131 0.75 HIF1A (0.46) KMT2AMEN1GAANPSR1PPARG
SCHEMBL19342159 0.75 HIF1A (0.46) KMT2AMEN1GAANPSR1PPARG
SCHEMBL676794 0.75 HIF1A (0.46) KMT2AMEN1GAANPSR1PPARG
SCHEMBL6032705 0.75 HIF1A (0.46) KMT2AMEN1GAANPSR1PPARG
SCHEMBL10014844 0.75 HIF1A (0.46) KMT2AMEN1GAANPSR1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912499-B1 PESTICIDES BAYER AG (DE) 2001-12-12 EP disclosed
US-6288071-B1 FUNGICIDES, INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-09-11 US disclosed
EP-0912499-A1 PESTICIDES Novartis AG (CH) 1999-05-06 EP disclosed
WO-1997047592-A1 PESTICIDES NOVARTIS AG (CH) 1997-12-18 WO disclosed