SCHEMBL7797408

SCHEMBL7797408

CC=CC(=O)OCC(C)COC(=O)C12CC3CC(C1)CC(C(=O)OCC(C)COC(=O)C=CC)(C3)C2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.46
PRKCA P17252 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 4/20 0.34
MAPT P10636 2/20 0.33
ABL1 P00519 1/20 0.33
TSHR P16473 1/20 0.33
RIN1 Q13671 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7791067 0.81 SMN1; SMN2 (0.41) PKMTSHRSMN1; SMN2
SCHEMBL7799315 0.81 NPSR1 (0.55) NPSR1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL7797338 0.79 NPSR1 (0.46) NPSR1PRKCAL3MBTL1ALDH1A1MEN1
SCHEMBL692036 0.78 NPSR1 (0.56) NPSR1PRKCAL3MBTL1PKMALDH1A1
SCHEMBL7797407 0.77 NPSR1 (0.47) NPSR1PRKCAL3MBTL1PKMALDH1A1
SCHEMBL7129774 0.76 ALDH1A1 (0.32) ALDH1A1LMNATHRBHTTSMN1; SMN2
SCHEMBL15256855 0.73 PKM (0.47) NPSR1PRKCAL3MBTL1PKMALDH1A1
SCHEMBL13637738 0.71 NPSR1 (0.48) NPSR1PRKCAL3MBTL1PKMALDH1A1
SCHEMBL691923 0.70 NPSR1 (0.61) NPSR1PRKCAL3MBTL1ALDH1A1MEN1
SCHEMBL23699034 0.70 GAA (0.46) L3MBTL1ALDH1A1MEN1KMT2ALMNA

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
EP-1164125-A1 ADAMANTANE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Daicel Chemical Industries, Ltd. (JP) 2001-12-19 EP disclosed