SCHEMBL5046028

SCHEMBL5046028

CC1(C)CC(OC(=O)C(C)(C)Br)CC(C)(C)N1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
POLB P06746 3/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
PKM P14618 1/20 0.33
EZH2 Q15910 3/20 0.32
TSHR P16473 1/20 0.32
NPC1L1 Q9UHC9 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
USP2 O75604 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
SCHEMBL26785349 0.87 GAA (0.53) GAAPOLBATML3MBTL1KMT2A
SCHEMBL13270921 0.85 GAA (0.50) GAAPOLBATML3MBTL1KMT2A
SCHEMBL902529 0.85 GAA (0.50) GAAPOLBATML3MBTL1KMT2A
SCHEMBL24925921 0.82 GAA (0.47) GAAPOLBATML3MBTL1KMT2A
SCHEMBL12040179 0.82 GAA (0.47) GAAPOLBATML3MBTL1KMT2A
SCHEMBL19101436 0.81 GAA (0.46) GAAPOLBATML3MBTL1KMT2A
SCHEMBL19101414 0.81 GAA (0.46) GAAPOLBATML3MBTL1KMT2A
SCHEMBL23871046 0.80 GAA (0.49) GAAPOLBATML3MBTL1KMT2A
SCHEMBL13546040 0.79 GAA (0.45) GAANPC1L1
SCHEMBL23872458 0.79 GAA (0.45) GAAPOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368525-B2 Polymeric alkoyamines prepared by atom transfer radical addition (ATRA) CIBA SPECIALTY CHEMICALS CORP. (US) 2008-05-06 US disclosed
US-20050250884-A1 Polymeric alkoyamines prepared by atom transfer radical addition (atra) CIBA SPECIALTY CHEMICALS CORP. 2005-11-10 US disclosed
EP-1543042-A1 POLYMERIC ALKOXYAMINES PREPARED BY ATOM TRANSFER RADICAL ADDITION (ATRA) Ciba SC Holding AG (CH) 2005-06-22 EP disclosed
WO-2004026915-A1 POLYMERIC ALKOXYAMINES PREPARED BY ATOM TRANSFER RADICAL ADDITION (ATRA) CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-04-01 WO disclosed