SCHEMBL7795479

SCHEMBL7795479

CC1=CCC(C(=O)C(=O)OC(C)(C)C)=C(CO/N=C(/C)c2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
MAOB P27338 1/20 0.36
CES2 O00748 1/20 0.36
TBXA2R P21731 9/20 0.35
TBXAS1 P24557 6/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7795483 1.00 KMT2A (0.39) KMT2AMEN1PPARGPPARAMAOB
SCHEMBL7070313 0.74 PPARG (0.41) KMT2AMEN1PPARGPPARAMAOB
SCHEMBL7788351 0.73 HIF1A (0.42) KMT2AMEN1PPARGPPARAMAOB
SCHEMBL7788357 0.73 HIF1A (0.42) KMT2AMEN1PPARGPPARAMAOB
SCHEMBL7788358 0.72 MEN1 (0.41) KMT2AMEN1PPARGPPARAMAOB
SCHEMBL7795045 0.71 KMT2A (0.45) KMT2AMEN1PPARGPPARAMAOB
SCHEMBL7795047 0.71 KMT2A (0.45) KMT2AMEN1PPARGPPARAMAOB
SCHEMBL7070310 0.70 PPARG (0.43) KMT2AMEN1PPARGPPARAMAOB
SCHEMBL7795491 0.70 KMT2A (0.41) KMT2AMEN1PPARGPPARAMAOB
SCHEMBL7795487 0.70 KMT2A (0.41) KMT2AMEN1PPARGPPARAMAOB

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
EP-0912499-B1 PESTICIDES BAYER AG (DE) 2001-12-12 EP disclosed