SCHEMBL7066871

SCHEMBL7066871

CCC1(CC)CN(C(C)(C)C)C(=O)C(CC)(CC)N1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.36
ELANE P08246 4/20 0.34
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DHFR P00374 1/20 0.32
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL7073368 0.88 ALDH1A1 (0.45) ALDH1A1TSHRELANENPSR1DHFR
SCHEMBL7071191 0.87 ALDH1A1 (0.44) ALDH1A1TSHRELANEHTTNPSR1
SCHEMBL6031955 0.66 ALDH1A1 (0.34) ALDH1A1ELANENPSR1DHFRGAA
SCHEMBL27514453 0.64 ALDH1A1 (0.34) ALDH1A1
SCHEMBL9242285 0.63 ALDH1A1 (0.54) ALDH1A1TSHRELANEDHFRTP53
SCHEMBL30032422 0.61 ALDH1A1 (0.38) ALDH1A1TSHRELANETP53GAA
SCHEMBL31306898 0.61 ALDH1A1 (0.51) ALDH1A1TSHRELANENPSR1DHFR
SCHEMBL27865358 0.60 ALDH1A1 (0.50) ALDH1A1TSHRDHFR
SCHEMBL4801538 0.59 ALDH1A1 (0.43) ALDH1A1TSHRELANEDHFRTP53
SCHEMBL2139487 0.59 ALDH1A1 (0.49) ALDH1A1TSHRDHFR

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 3 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
US-6479608-B1 Heterocyclic alkoxyamines as regulators in controlled radical polymerization processes CIBA SPECIALTY CHEMICALS CORPORATION 2002-11-12 US disclosed