SCHEMBL23043833

SCHEMBL23043833

CC(C)(C)C1CCC(C[C@@H]2C(=O)C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.53
ATM Q13315 2/20 0.36
ACHE P22303 3/20 0.35
GLA P06280 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HBB P68871 1/20 0.34
PARG Q86W56 1/20 0.33
NTSR1 P30989 1/20 0.32
NPBWR1 P48145 1/20 0.32
KMT2A Q03164 1/20 0.32
MCHR1 Q99705 1/20 0.32
SLC25A5 P05141 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL29835780 0.76 ACHE (0.49) CDC25BATMACHE
SCHEMBL28368409 0.76 ACHE (0.49) CDC25BATMACHE
SCHEMBL7915228 0.76 MEN1 (0.48) CDC25BALDH1A1KMT2ASLC25A5NPC1
SCHEMBL11029625 0.70 CDC25B (0.66) CDC25BATMALDH1A1KMT2ANPC1
Buparvaquone SCHEMBL21863689 0.70 CDC25B (0.82) CDC25BATMGLAALDH1A1NPBWR1
SCHEMBL29835789 0.70 CDC25B (0.66) CDC25BATMALDH1A1KMT2ANPC1
SCHEMBL11037610 0.70 CDC25B (0.66) CDC25BATMALDH1A1KMT2ANPC1
SCHEMBL11029629 0.70 CDC25B (0.66) CDC25BATMALDH1A1KMT2ANPC1
Buparvaquone SCHEMBL30634020 0.70 CDC25B (0.82) CDC25BATMGLAALDH1A1NPBWR1
SCHEMBL28364593 0.70 CDC25B (0.59) CDC25BATMALDH1A1HBBKMT2A

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-2021042001-A1 COMPOSITIONS AND METHODS RELATED TO DISSOLVED OXIDES Natural Extraction Systems, LLC (US) 2021-03-04 WO disclosed