SCHEMBL29044124

SCHEMBL29044124

CCCCOc1ccc(C(O)CC2(O)C(=O)N(Cc3ccc(C)cc3)c3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
TP53 P04637 7/20 0.52
ALDH1A1 P00352 10/20 0.44
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
SCN9A Q15858 1/20 0.42
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 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
SCHEMBL29044115 0.90 MAPT (0.55) MAPTTP53ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL29044116 0.89 MAPT (0.52) MAPTTP53ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL29044128 0.85 MAPT (0.59) MAPTTP53ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL29044126 0.84 ALDH1A1 (0.48) MAPTTP53ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL28690108 0.82 MAPT (0.79) MAPTTP53ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL29044113 0.78 MAPT (0.57) MAPTTP53ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL29044119 0.77 MAPT (0.59) MAPTTP53ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL29044109 0.76 ALDH1A1 (0.50) MAPTTP53ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL28696169 0.75 MAPT (0.67) MAPTTP53ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL28683405 0.74 MAPT (0.55) MAPTTP53ALDH1A1HSD17B10SMN1; 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-114057626-B Indole-2, 3-dione derivative, preparation method thereof and anti-liver cancer drug for inhibiting RECQL4 specific expression 山东第一医科大学(山东省医学科学院) 2023-06-30 CN disclosed