SCHEMBL8971865

SCHEMBL8971865

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 5/20 0.39
TSHR P16473 2/20 0.38
HTT P42858 2/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL8970956 0.83 MEN1 (0.46) MEN1KMT2ASMN1; SMN2TSHRHTT
SCHEMBL8972074 0.82 MEN1 (0.44) MEN1KMT2ASMN1; SMN2TSHRHTT
SCHEMBL8971748 0.81 TSHR (0.46) MEN1KMT2ASMN1; SMN2TSHRHTT
SCHEMBL8971864 0.78 HTT (0.43) MEN1KMT2ASMN1; SMN2TSHRHTT
SCHEMBL8971548 0.76 TSHR (0.41) MEN1KMT2ASMN1; SMN2TSHRHTT
SCHEMBL8971289 0.74 MEN1 (0.51) MEN1KMT2ASMN1; SMN2TSHRHTT
SCHEMBL8971905 0.73 KMT2A (0.47) MEN1KMT2ASMN1; SMN2TSHRHTT
SCHEMBL8970976 0.72 TSHR (0.55) MEN1KMT2ASMN1; SMN2TSHRHTT
SCHEMBL8854362 0.72 MEN1 (0.44) MEN1KMT2ASMN1; SMN2TSHRHTT
SCHEMBL8970972 0.71 MEN1 (0.37) MEN1KMT2ASMN1; SMN2TSHRHTT

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