SCHEMBL28279665

SCHEMBL28279665

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 3/20 0.41
CYP3A4 P08684 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
NR1I2 O75469 1/20 0.40
PGR P06401 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
PTGS2 P35354 1/20 0.40
PDE4D Q08499 1/20 0.40
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL25987570 0.91 L3MBTL1 (0.45) CYP1A2KMT2APOLBTSHRCYP3A4
SCHEMBL11080181 0.82 CYP1A2 (0.48) CYP1A2KMT2APOLBTSHRCYP3A4
SCHEMBL12190163 0.81 CYP1A2 (0.47) CYP1A2KMT2APOLBTSHRCYP3A4
SCHEMBL28998281 0.81 CYP1A2 (0.47) CYP1A2KMT2APOLBTSHRCYP3A4
SCHEMBL12385422 0.79 GAA (0.43) CYP1A2KMT2ATSHRCYP3A4TDP1
SCHEMBL8095838 0.79 MAPT (0.34) KMT2A
SCHEMBL1325863 0.79 L3MBTL1 (0.44) CYP1A2KMT2APOLBTSHRCYP3A4
SCHEMBL1260194 0.78 L3MBTL1 (0.46) CYP1A2KMT2APOLBTSHRTDP1
SCHEMBL6670794 0.77 AKR1B1 (0.43) KMT2ATSHRTDP1ALDH1A1ALOX15
SCHEMBL9152051 0.77 CYP3A4 (0.59) CYP1A2KMT2APOLBTSHRCYP3A4

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