SCHEMBL8972019

SCHEMBL8972019

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
TSHR P16473 3/20 0.47
USP2 O75604 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 1/20 0.42
HSD11B1 P28845 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL8972240 0.87 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1TSHRUSP2
SCHEMBL8971984 0.86 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1TSHRUSP2
SCHEMBL8971905 0.82 KMT2A (0.47) ALDH1A1KMT2AMEN1TSHRUSP2
SCHEMBL8971533 0.79 TSHR (0.64) ALDH1A1KMT2AMEN1TSHRLMNA
SCHEMBL8971766 0.77 KMT2A (0.67) ALDH1A1KMT2AMEN1TSHRLMNA
SCHEMBL8971870 0.75 TSHR (0.48) ALDH1A1KMT2AMEN1TSHRUSP2
SCHEMBL8970959 0.75 KMT2A (0.51) ALDH1A1KMT2AMEN1TSHRUSP2
SCHEMBL8971846 0.74 KMT2A (0.54) ALDH1A1KMT2AMEN1TSHRUSP2
SCHEMBL8971748 0.73 TSHR (0.46) ALDH1A1KMT2AMEN1TSHRUSP2
SCHEMBL18223628 0.70 LMNA (0.67) ALDH1A1KMT2AMEN1TSHRLMNA

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