SCHEMBL7070545

SCHEMBL7070545

CCC1(CC)C(=O)N(Cc2ccccc2)CC(C)(C)N1[O]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.46
GAA P10253 2/20 0.45
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
RIPK1 Q13546 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
CYP2C19 P33261 4/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CTSG P08311 1/20 0.40
PRTN3 P24158 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
AMPD2 Q01433 1/20 0.39
EPHX2 P34913 1/20 0.38

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
SCHEMBL7070549 0.86 ELANE (0.44) ELANEGAANPSR1KMT2AMEN1
SCHEMBL13246448 0.79 GAA (0.47) ELANEGAANPSR1KMT2AMEN1
SCHEMBL10870338 0.76 ELANE (0.55) ELANEGAANPSR1KMT2AMEN1
SCHEMBL3026097 0.76 ELANE (0.44) ELANEGAAKMT2AMEN1DDB1
SCHEMBL7070632 0.72 ELANE (0.45) ELANEGAANPSR1KMT2AMEN1
SCHEMBL4952376 0.72 BRD4 (0.31)
SCHEMBL7697838 0.72 CYP19A1 (0.35) KMT2AMEN1POLBOPRM1OPRL1
SCHEMBL3010794 0.71
SCHEMBL11165846 0.70 GAA (0.47) ELANEGAANPSR1KMT2AMEN1
SCHEMBL738682 0.69 GAA (0.50) ELANEGAANPSR1KMT2AMEN1

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