SCHEMBL23829593

SCHEMBL23829593

CCCC/C=C/C(C)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
F7 P08709 2/20 0.42
F3 P13726 2/20 0.42
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
MAPT P10636 3/20 0.41
ASAH2 Q9NR71 1/20 0.41
TP53 P04637 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
TERT O14746 3/20 0.38
BLM P54132 2/20 0.38
HSD17B10 Q99714 2/20 0.38

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
SCHEMBL23829594 1.00 CYP3A4 (0.43) CYP3A4KMT2AMEN1F7F3
SCHEMBL17267402 0.92 KMT2A (0.53) CYP3A4KMT2AMEN1F7F3
SCHEMBL17267404 0.92 KMT2A (0.53) CYP3A4KMT2AMEN1F7F3
SCHEMBL28588566 0.83 F7 (0.47) CYP3A4KMT2AMEN1F7F3
SCHEMBL1771481 0.83 F7 (0.47) CYP3A4KMT2AMEN1F7F3
SCHEMBL3270488 0.83 F7 (0.47) CYP3A4KMT2AMEN1F7F3
SCHEMBL15318852 0.82 MEN1 (0.46) CYP3A4KMT2AMEN1F7F3
SCHEMBL29050792 0.82 F7 (0.46) CYP3A4KMT2AMEN1F7F3
SCHEMBL15318853 0.82 MEN1 (0.46) CYP3A4KMT2AMEN1F7F3
SCHEMBL7109321 0.79 MEN1 (0.56) CYP3A4KMT2AMEN1F7F3

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-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 US disclosed