SCHEMBL31026682

SCHEMBL31026682

CN1C(=O)NC(=O)C(C2CCCCC2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
APP P05067 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
TSHR P16473 1/20 0.33
MAP3K14 Q99558 1/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 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
SCHEMBL10746176 0.98 MAPT (0.48) MAPTAPPBACE1BACE2TSHR
SCHEMBL17110173 0.77 MAPT (0.47) MAPTLMNAALDH1A1CYP3A4CYP2C9
SCHEMBL17358748 0.76 MAPT (0.50) MAPTLMNAPOLBGAAALDH1A1
SCHEMBL1263344 0.76 MAPT (0.39) MAPTAPPBACE1BACE2TSHR
SCHEMBL1262497 0.74 MAPT (0.36) MAPTAPPBACE1BACE2TSHR
SCHEMBL4005170 0.74 MAPT (0.44) MAPT
SCHEMBL1264136 0.71 MAPT (0.69) MAPTTSHRMAP3K14ALDH1A1
SCHEMBL21677137 0.71 MAPT (0.62) MAPTMAP3K14LMNAPOLBGAA
SCHEMBL17358726 0.70 KMT2A (0.46) MAPTTSHRPOLBALDH1A1KMT2A
SCHEMBL7060319 0.69 LMNA (0.36) MAPTAPPBACE1BACE2TSHR

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-118222769-A Multi-carboxylic acid group high-absorption chrome tanning auxiliary agent containing barbituric acid structure and preparation method thereof 南京工业大学 2024-06-21 CN disclosed