SCHEMBL3940498

SCHEMBL3940498

CC(C)(C)OC(=O)N(CCN)CCN(CCN)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.42
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC3 O15379 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
HDAC6 Q9UBN7 2/20 0.33
SSTR4 P31391 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL505669 0.93 CA14 (0.46) CA14HDAC1HDAC2HDAC3NCOR2
SCHEMBL12924141 0.93 CA14 (0.46) CA14HDAC1HDAC2HDAC3NCOR2
SCHEMBL12924143 0.91 CA14 (0.47) CA14HDAC1HDAC2HDAC3NCOR2
SCHEMBL16522402 0.87 CA14 (0.43) CA14HDAC1HDAC2HDAC6SSTR4
SCHEMBL3487849 0.86 CA14 (0.50) CA14HDAC1HDAC2HDAC3NCOR2
SCHEMBL31436149 0.86 CA14 (0.42) CA14HDAC1HDAC2HDAC6SSTR4
SCHEMBL2248633 0.84 CA14 (0.46) CA14HDAC1HDAC2HDAC6SSTR4
SCHEMBL4696802 0.84 CA14 (0.46) CA14HDAC1HDAC2HDAC6SSTR4
SCHEMBL17949691 0.84 CA14 (0.43) CA14HDAC1HDAC2HDAC3NCOR2
SCHEMBL11521511 0.82 CA14 (0.39) CA14HDAC1HDAC2HDAC3NCOR2

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
CN-110066224-A Product containing lipid 阿尔尼拉姆医药品有限公司 2019-07-30 CN disclosed
WO-2009013444-A1 TETRAHYDROPYRROLOPYRIMIDINEDIONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS ARGENTA DISCOVERY LIMITED (GB) 2009-01-29 WO disclosed