SCHEMBL28016140

SCHEMBL28016140

C1C2CC3C4CC5CC(C14)C(C2)C3C5.Nc1ccc(C(=O)O)cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.47
KDM4E B2RXH2 11/20 0.45
GAA P10253 10/20 0.45
HSD17B10 Q99714 5/20 0.45
POLB P06746 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
LMNA P02545 1/20 0.45
NR4A1 P22736 1/20 0.44
ALDH1A1 P00352 7/20 0.42
MAPT P10636 6/20 0.42
THRB P10828 3/20 0.42
HPGD P15428 3/20 0.42
GFER P55789 3/20 0.42
HTT P42858 1/20 0.42
PLEC Q15149 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
RCE1 Q9Y256 1/20 0.40

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
SCHEMBL4824967 0.84 CDC25B (0.61) CDC25BKDM4EGAAHSD17B10POLB
SCHEMBL29351778 0.84 CDC25B (0.61) CDC25BKDM4EGAAHSD17B10POLB
SCHEMBL77186 0.84 CDC25B (0.61) CDC25BKDM4EGAAHSD17B10POLB
Hydrochloric Acid SCHEMBL828086 0.82 CDC25B (0.59) CDC25BKDM4EGAAHSD17B10POLB
Hydrochloric Acid SCHEMBL4653034 0.82 CDC25B (0.59) CDC25BKDM4EGAAHSD17B10POLB
SCHEMBL2814914 0.82 CDC25B (0.59) CDC25BKDM4EGAAHSD17B10POLB
SCHEMBL8648893 0.82 CDC25B (0.59) CDC25BKDM4EGAAHSD17B10POLB
SCHEMBL2808434 0.82 CDC25B (0.59) CDC25BKDM4EGAAHSD17B10POLB
SCHEMBL2892151 0.82 CDC25B (0.59) CDC25BKDM4EGAAHSD17B10POLB
Water SCHEMBL2810848 0.82 CDC25B (0.59) CDC25BKDM4EGAAHSD17B10POLB

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-104557472-A Adamantane derivative, preparation method and application in epoxy resin UNIV BEIJING CHEMICAL 2015-04-29 CN disclosed