SCHEMBL31120959

SCHEMBL31120959

CC(=O)NCC(=O)NCC=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
PAOX Q6QHF9 3/20 0.33
TSHR P16473 2/20 0.33
SOAT1 P35610 1/20 0.33
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
F2 P00734 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL25130121 0.98 KDM4E (0.34) KDM4EMAPK1HIF1AMTNR1AMTNR1B
SCHEMBL868382 0.83
SCHEMBL26349405 0.80 CA1 (0.34) TSHRSMN1; SMN2MAPT
SCHEMBL17550590 0.79
SCHEMBL22883324 0.77 HDAC3 (0.38)
SCHEMBL19658266 0.77 MAPT (0.46) KDM4EPAOXTSHRALDH1A1SMN1; SMN2
SCHEMBL18519881 0.76 TSHR (0.33) TSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL22430280 0.76 TERT (0.37) TSHRSMN1; SMN2MAPT
SCHEMBL21664183 0.76 TERT (0.37) TSHRSMN1; SMN2MAPT
SCHEMBL17760929 0.74 LMNA (0.43) TSHRSMN1; SMN2MAPT

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
CN-118401517-A PLpro inhibitors 上海华汇拓医药科技有限公司 2024-07-26 CN disclosed