SCHEMBL8971217

SCHEMBL8971217

C=CCC(C1=CCC(=C(C)Cc2ccc(O)cc2)C=C1)N1C(=O)C2C3C=CC(C3)C2C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL8971321 0.87 ALDH1A1 (0.35) ALDH1A1KMT2AMEN1HTTKDM4E
SCHEMBL8971642 0.86 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1HTTKDM4E
SCHEMBL8970926 0.75 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1HTTKDM4E
SCHEMBL8971286 0.68 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1HTTKDM4E
SCHEMBL8971770 0.67 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1HTTKDM4E
SCHEMBL8971905 0.67 KMT2A (0.47) ALDH1A1KMT2AMEN1HTTKDM4E
SCHEMBL8971337 0.66 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1HTTKDM4E
SCHEMBL8972029 0.66 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1HTTKDM4E
SCHEMBL8971289 0.64 MEN1 (0.51) ALDH1A1KMT2AMEN1HTTKDM4E
SCHEMBL8971554 0.64 KMT2A (0.46) ALDH1A1KMT2AMEN1HTTKDM4E

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-5521260-A ALKENYLNADIMIDE, VINYL COMPOUND, PHENOLIC RESIN MARUZEN PETROCHEMICAL CO., LTD. (JP) 1996-05-28 US disclosed