SCHEMBL27889263

SCHEMBL27889263

CC(C)NP(N)(=O)NC(C)C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
BCHE P06276 1/20 0.48
HIF1A Q16665 1/20 0.48
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL10874998 0.80
SCHEMBL10053090 0.75
SCHEMBL3077436 0.73 ALDH1A1 (0.55) ALDH1A1BCHEHIF1A
SCHEMBL11023549 0.72 ALDH1A1 (0.53) ALDH1A1BCHEHIF1ACA12CA1
SCHEMBL3070317 0.69 ALDH1A1 (0.50) ALDH1A1BCHEHIF1A
SCHEMBL3895544 0.69 ALDH1A1 (0.39) ALDH1A1BCHEHIF1A
SCHEMBL4336527 0.69
SCHEMBL3887703 0.68 ALDH1A1 (0.37) ALDH1A1BCHEHIF1A
SCHEMBL14600549 0.67 ALDH1A1 (0.42) ALDH1A1BCHEHIF1A
SCHEMBL23127781 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102898464-B Photosensitive group-protected functional group phosphoramidite and its preparation method and use UNIV BEIJING 2015-04-01 CN claimed
CN-105705510-B HCV polymerase inhibitors 美迪维尔公司 2018-11-30 CN disclosed
CN-107428793-A The manufacture method of glycocide compound 株式会社博纳克 2017-12-01 CN disclosed
CN-102898464-B Photosensitive group-protected functional group phosphoramidite and its preparation method and use UNIV BEIJING 2015-04-01 CN disclosed
CN-102898464-A Photosensitive group-protected functional group phosphoramidite and its preparation method and use UNIV BEIJING 2013-01-30 CN disclosed