SCHEMBL31297752

SCHEMBL31297752

[2H]c1cc(C(C)C)c(OC(=O)c2ccccc2)cc1C

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PRSS1 P07477 1/20 0.44
ACR P10323 1/20 0.44
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
SLC6A3 Q01959 1/20 0.42
MEN1 O00255 2/20 0.42
JAK2 O60674 1/20 0.41
USP2 O75604 1/20 0.41
ESR1 P03372 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ESR2 Q92731 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL29910673 0.87 LMNA (0.61) LMNAL3MBTL1PRSS1ACR
SCHEMBL249466 0.87 LMNA (0.61) LMNAL3MBTL1PRSS1ACR
SCHEMBL2478197 0.79 MAPT (0.44) LMNAL3MBTL1MAPTKMT2ASMN1; SMN2
SCHEMBL10600506 0.74 LMNA (0.59) LMNAL3MBTL1KMT2AMEN1
SCHEMBL29910599 0.73 PRSS1 (0.56) LMNAL3MBTL1PRSS1ACR
SCHEMBL20735025 0.73 PRSS1 (0.56) LMNAL3MBTL1PRSS1ACR
SCHEMBL498193 0.72 KMT2A (0.53) L3MBTL1MAPTKMT2ASMN1; SMN2SLC6A3
SCHEMBL27881694 0.72 KMT2A (0.64) LMNAL3MBTL1MAPTKMT2AHSD17B10
SCHEMBL28968626 0.71 LMNA (0.56) LMNAL3MBTL1KMT2AMEN1
SCHEMBL11490636 0.71 MAPT (0.64) MAPTKMT2ASMN1; SMN2SLC6A3MEN1

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-119241326-A Method for preparing deuterated aromatic hydrocarbon by catalyzing arylthianthrene salt through visible light 郑州大学 2025-01-03 CN disclosed