SCHEMBL8971748

SCHEMBL8971748

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
HTT P42858 2/20 0.46
USP2 O75604 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 2/20 0.39
MAPK1 P28482 1/20 0.38
LMNA P02545 2/20 0.38
RECQL P46063 1/20 0.38
POLB P06746 1/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL8971548 0.89 TSHR (0.41) TSHRHTTUSP2HSD17B10MEN1
SCHEMBL8970956 0.88 MEN1 (0.46) TSHRHTTUSP2HSD17B10MEN1
SCHEMBL8971864 0.83 HTT (0.43) TSHRHTTUSP2HSD17B10MEN1
SCHEMBL8971865 0.81 MEN1 (0.42) TSHRHTTUSP2HSD17B10MEN1
SCHEMBL8971870 0.80 TSHR (0.48) TSHRHTTUSP2HSD17B10MEN1
SCHEMBL8970976 0.77 TSHR (0.55) TSHRHTTMEN1KMT2AALDH1A1
SCHEMBL8971289 0.77 MEN1 (0.51) TSHRHTTUSP2HSD17B10MEN1
SCHEMBL8854362 0.77 MEN1 (0.44) TSHRHTTUSP2HSD17B10MEN1
SCHEMBL8970972 0.75 MEN1 (0.37) TSHRHTTUSP2HSD17B10MEN1
SCHEMBL8971905 0.75 KMT2A (0.47) TSHRHTTUSP2HSD17B10MEN1

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