SCHEMBL23143751

SCHEMBL23143751

CCCCOC(=O)OC(=O)Nc1cnccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
F2 P00734 1/20 0.41
ALOX15 P16050 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL26789763 0.76 HTT (0.55) SMN1; SMN2KMT2AMEN1GAAGSK3A
SCHEMBL15432249 0.74 SMN1; SMN2 (0.50) L3MBTL1ALDH1A1LMNATSHRNPSR1
SCHEMBL21059189 0.71 SMN1; SMN2 (0.68) L3MBTL1ALDH1A1LMNATSHRNPSR1
SCHEMBL23155544 0.71 NAMPT (0.46) ALDH1A1SMN1; SMN2GAAGSK3AGSK3B
SCHEMBL3655456 0.70 SMN1; SMN2 (0.55) L3MBTL1ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL23944960 0.69 L3MBTL1 (0.66) L3MBTL1ALDH1A1LMNATSHRNPSR1
SCHEMBL21634990 0.68 UCHL1 (0.35) L3MBTL1ALDH1A1LMNATSHRNPSR1
SCHEMBL21059187 0.68 L3MBTL1 (0.63) L3MBTL1ALDH1A1LMNATSHRNPSR1
SCHEMBL26804292 0.68 HTT (0.44) ALDH1A1SMN1; SMN2GSK3AGSK3BKDM4E
SCHEMBL24761938 0.68 NPC1 (0.54) ALDH1A1LMNASMN1; SMN2KMT2AMEN1

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
WO-2021061643-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2021-04-01 WO disclosed