SCHEMBL8971846

SCHEMBL8971846

C=C(C)CC(C)N1C(=O)C2C3C=CC(C3)C2C1=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 2/20 0.42
USP2 O75604 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL8971766 0.80 KMT2A (0.67) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL21573078 0.79 MEN1 (0.57) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL19678574 0.78 MEN1 (0.64) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL20759128 0.78 MEN1 (0.64) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL19678571 0.78 MEN1 (0.64) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL11798566 0.78 MEN1 (0.64) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL19678572 0.78 MEN1 (0.64) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL8971286 0.77 ALDH1A1 (0.45) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL8971289 0.77 MEN1 (0.51) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL24103992 0.76 MEN1 (0.54) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1

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