SCHEMBL8971127

SCHEMBL8971127

C=CCC(C1CCCCC1)N1C(=O)C2C3C=CC(C3)C2C1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
POLB P06746 1/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
RECQL P46063 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL8970977 0.87 MEN1 (0.41) TSHRCYP3A4CYP2C19KMT2AMEN1
SCHEMBL8854371 0.79 TSHR (0.44) TSHRCYP3A4CYP2C19KMT2AMEN1
SCHEMBL8970956 0.78 MEN1 (0.46) TSHRKMT2AMEN1ALDH1A1TDP1
SCHEMBL8854362 0.76 MEN1 (0.44) TSHRKMT2AMEN1ALDH1A1TDP1
SCHEMBL8971289 0.76 MEN1 (0.51) TSHRCYP3A4CYP2C19KMT2AMEN1
SCHEMBL8971748 0.71 TSHR (0.46) TSHRKMT2AMEN1ALDH1A1TDP1
SCHEMBL8971905 0.71 KMT2A (0.47) TSHRKMT2AMEN1ALDH1A1TDP1
SCHEMBL8972029 0.70 ALDH1A1 (0.47) TSHRCYP2C19KMT2AMEN1ALDH1A1
SCHEMBL8970926 0.68 ALDH1A1 (0.46) TSHRKMT2AMEN1ALDH1A1TDP1
SCHEMBL8971864 0.68 HTT (0.43) TSHRKMT2AMEN1ALDH1A1TDP1

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