SCHEMBL28279667

SCHEMBL28279667

CCCC(C#N)(CC)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 4/20 0.44
TSHR P16473 1/20 0.44
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
PKM P14618 2/20 0.36
THRB P10828 1/20 0.36
MAPT P10636 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.35
KDM4E B2RXH2 2/20 0.33
LMNA P02545 3/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP2C9 P11712 2/20 0.32
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 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
SCHEMBL7722774 0.92 MEN1 (0.52) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL1963 0.88 ALDH1A1 (0.50) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL31522371 0.87 MEN1 (0.36) MEN1KMT2AALDH1A1TSHRCYP4F2
Hydrochloric Acid SCHEMBL31131863 0.84 MEN1 (0.45) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL28609789 0.83 MEN1 (0.34) MEN1KMT2AALDH1A1TSHR
SCHEMBL7709450 0.81 MEN1 (0.49) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL15451360 0.80 MEN1 (0.43) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL28631996 0.79 MEN1 (0.38) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL8399191 0.79 MEN1 (0.48) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL18290151 0.78 MEN1 (0.68) MEN1KMT2AALDH1A1TSHRCYP4F2

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-109928660-A The water-reducing agent and its preparation process of low temperature synthesis high water reduction type 南京瑞固聚合物有限公司 2019-06-25 CN claimed
CN-109400822-A A kind of preparation method of collapse protective poly-carboxylic acid water reducing agent mother liquor 湖北鑫统领万象科技有限公司 2019-03-01 CN claimed
CN-109928660-A The water-reducing agent and its preparation process of low temperature synthesis high water reduction type 南京瑞固聚合物有限公司 2019-06-25 CN disclosed
CN-109928660-A The water-reducing agent and its preparation process of low temperature synthesis high water reduction type 南京瑞固聚合物有限公司 2019-06-25 CN disclosed
CN-109400822-A A kind of preparation method of collapse protective poly-carboxylic acid water reducing agent mother liquor 湖北鑫统领万象科技有限公司 2019-03-01 CN disclosed