SCHEMBL29157013

SCHEMBL29157013

CC(=O)Nc1ccc(OC(=O)CC(=O)CCl)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.62
MEN1 O00255 4/20 0.62
OPRK1 P41145 1/20 0.58
NPSR1 Q6W5P4 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HSD17B10 Q99714 2/20 0.54
ALDH1A1 P00352 4/20 0.53
TDP1 Q9NUW8 2/20 0.53
TP53 P04637 1/20 0.53
HIF1A Q16665 1/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
MAPT P10636 2/20 0.50
ESR2 Q92731 1/20 0.50
HTT P42858 1/20 0.49
HPGD P15428 2/20 0.48
TSHR P16473 1/20 0.47

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
SCHEMBL668622 0.89 KMT2A (0.68) KMT2AMEN1OPRK1NPSR1SMN1; SMN2
SCHEMBL12291744 0.87 KMT2A (0.75) KMT2AMEN1OPRK1NPSR1SMN1; SMN2
SCHEMBL12291743 0.82 KMT2A (0.68) KMT2AMEN1OPRK1NPSR1SMN1; SMN2
SCHEMBL9823523 0.80 KMT2A (0.70) KMT2AMEN1OPRK1NPSR1SMN1; SMN2
SCHEMBL1930736 0.80 KMT2A (0.70) KMT2AMEN1OPRK1NPSR1SMN1; SMN2
Diacetamate SCHEMBL863106 0.79 KMT2A (0.81) KMT2AMEN1OPRK1NPSR1SMN1; SMN2
SCHEMBL12987121 0.79 KMT2A (0.68) KMT2AMEN1OPRK1NPSR1SMN1; SMN2
SCHEMBL3805817 0.79 KMT2A (0.68) KMT2AMEN1OPRK1NPSR1SMN1; SMN2
SCHEMBL13195809 0.78 KMT2A (0.71) KMT2AMEN1OPRK1NPSR1SMN1; SMN2
SCHEMBL14808444 0.77 KMT2A (1.00) KMT2AMEN1OPRK1NPSR1SMN1; SMN2

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-115501192-B Preparation method of propacetamol hydrochloride for injection 海南皇隆制药股份有限公司 2024-02-23 CN disclosed