SCHEMBL8970926

SCHEMBL8970926

C=CCC(c1ccc(O)cc1)N1C(=O)C2C3C=CC(C3)C2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
USP2 O75604 2/20 0.46
HSD17B10 Q99714 2/20 0.46
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
ALOX15 P16050 1/20 0.46
CASP1 P29466 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.38
LMNA P02545 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
SCHEMBL8972029 0.87 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AHTTL3MBTL1
SCHEMBL8971770 0.85 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHTTL3MBTL1
SCHEMBL8971286 0.81 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AHTTL3MBTL1
SCHEMBL8971242 0.80 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AHTTL3MBTL1
SCHEMBL8972170 0.79 MEN1 (0.37) ALDH1A1MEN1KMT2AHTTPOLB
SCHEMBL8970956 0.76 MEN1 (0.46) ALDH1A1MEN1KMT2AHTTL3MBTL1
SCHEMBL8971217 0.75 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AHTTL3MBTL1
SCHEMBL8971337 0.74 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AHTTL3MBTL1
SCHEMBL8971554 0.74 KMT2A (0.46) ALDH1A1MEN1KMT2AHTTL3MBTL1
SCHEMBL8971289 0.74 MEN1 (0.51) ALDH1A1MEN1KMT2AHTTL3MBTL1

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