SCHEMBL7795047

SCHEMBL7795047

CC(=NOCC#CC(=O)C(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CES2 O00748 2/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
POLB P06746 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ACHE P22303 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TP53BP1 Q12888 1/20 0.36
MAOB P27338 1/20 0.36
DDR1 Q08345 2/20 0.36
TBXA2R P21731 1/20 0.36

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
SCHEMBL7795045 1.00 KMT2A (0.45) KMT2AMEN1CES2PPARGPPARA
SCHEMBL7795465 0.80 KMT2A (0.46) KMT2AMEN1CES2PPARGPPARA
SCHEMBL7795467 0.80 KMT2A (0.46) KMT2AMEN1CES2PPARGPPARA
SCHEMBL7795069 0.79 KMT2A (0.45) KMT2AMEN1CES2PPARGPPARA
SCHEMBL7795066 0.79 KMT2A (0.45) KMT2AMEN1CES2PPARGPPARA
SCHEMBL7788337 0.76 KMT2A (0.49) KMT2AMEN1CES2PPARGPPARA
SCHEMBL7788342 0.76 KMT2A (0.49) KMT2AMEN1CES2PPARGPPARA
SCHEMBL8611093 0.74 KMT2A (0.56) KMT2AMEN1CES2PPARGPPARA
SCHEMBL26716488 0.73 KMT2A (0.57) KMT2AMEN1CES2PPARGPPARA
SCHEMBL7795479 0.71 KMT2A (0.39) KMT2AMEN1CES2PPARGPPARA

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