SCHEMBL7670571

SCHEMBL7670571

CCC1(CC)C(=O)OCC(C)(COC(=O)C(C)(C)C)N1OCc1ccccc1C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
GLA P06280 1/20 0.34
PRKCA P17252 6/20 0.33
PRKCE Q02156 5/20 0.33
RASGRP3 Q8IV61 5/20 0.33
MAPT P10636 1/20 0.33
MAOB P27338 1/20 0.33
ADORA2A P29274 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.31
RASGRP1 O95267 1/20 0.31
PRKCD Q05655 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PKM P14618 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL12059177 0.80 PRKCA (0.39) PRKCAPRKCERASGRP3PRKCDSMN1; SMN2
SCHEMBL7070815 0.78 PRKCA (0.37) PRKCAPRKCERASGRP3PRKCD
SCHEMBL4953813 0.75 PRKCA (0.38) PRKCAPRKCERASGRP3GAAPRKCD
SCHEMBL4953817 0.75 PRKCA (0.38) PRKCAPRKCEPRKCDSMN1; SMN2
SCHEMBL6548888 0.69 ADRA2A (0.35) ALDH1A1KDM4EMAPTMAOBADORA2A
SCHEMBL13811590 0.69 ALDH1A1 (0.55) ALDH1A1KDM4EGLAMAPTMAOB
SCHEMBL4954525 0.66 PRKCA (0.40) PRKCAPRKCERASGRP3GAAPRKCD
SCHEMBL4954531 0.66 PRKCA (0.40) PRKCAPRKCEPRKCDSMN1; SMN2
SCHEMBL4952252 0.66 SMN1; SMN2 (0.38) PRKCAPRKCESMN1; SMN2
SCHEMBL4952249 0.66 SMN1; SMN2 (0.38) PRKCAPRKCERASGRP3GAASMN1; 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
US-6479608-B1 Heterocyclic alkoxyamines as regulators in controlled radical polymerization processes CIBA SPECIALTY CHEMICALS CORPORATION 2002-11-12 US disclosed