SCHEMBL7070697

SCHEMBL7070697

CCC1(COC(=O)C(C)(C)C)COC(=O)C(CC)(CC)N1OC(C)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
PRKCA P17252 9/20 0.33
PRKCE Q02156 4/20 0.33
RASGRP3 Q8IV61 4/20 0.33
NPC1 O15118 1/20 0.32
RASGRP1 O95267 1/20 0.32
PRKCD Q05655 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ABCB11 O95342 1/20 0.31
GABRA2 P47869 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
SCHEMBL7070815 0.89 PRKCA (0.37) PRKCAPRKCERASGRP3PRKCD
SCHEMBL7070705 0.86 HSD11B1 (0.32) TSHR
SCHEMBL5385910 0.78 IDH1 (0.34)
SCHEMBL4952252 0.76 SMN1; SMN2 (0.38) PRKCAPRKCESMN1; SMN2
SCHEMBL4952249 0.76 SMN1; SMN2 (0.38) PRKCAPRKCERASGRP3SMN1; SMN2
SCHEMBL7073820 0.71 ELANE (0.30)
SCHEMBL5389794 0.70 IDH1 (0.33)
SCHEMBL7070371 0.69 IDH1 (0.34)
SCHEMBL12059177 0.69 PRKCA (0.39) PRKCAPRKCERASGRP3PRKCDSMN1; SMN2
SCHEMBL7670571 0.69 ALDH1A1 (0.34) PRKCAPRKCERASGRP3NPC1RASGRP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6664353-B2 Compounds providing stable free radical-mediated polymerization processes which yield polymers having low polydispersity at enhanced rates of polymerization and enhanced monomer to polymer conversions CIBA SPECIALTY CHEMICALS CORPORATION 2003-12-16 US disclosed
US-20030125494-A1 Heterocyclic alkoxyamines as regulators in controlled radical polymerization processes NESVADBA PETER (CH) 2003-07-03 US disclosed