SCHEMBL28226752

SCHEMBL28226752

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
TSHR P16473 3/20 0.34
CYP3A4 P08684 2/20 0.34
ALOX15 P16050 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 2/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CHRM1 P11229 1/20 0.33
ADORA1 P30542 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2D6 P10635 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TRPA1 O75762 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 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
SCHEMBL28227458 0.88 ALDH1A1 (0.33) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL28226689 0.85 ALDH1A1 (0.33) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL28226663 0.84 ALDH1A1 (0.32) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL28262588 0.83 MEN1 (0.32) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL28227492 0.80 MEN1 (0.30) MEN1KMT2A
SCHEMBL28227493 0.79 CYP2D6 (0.41) ALDH1A1TSHRCYP2D6KMT2A
SCHEMBL28226682 0.79 MAPT (0.34) ALDH1A1MEN1KMT2ALMNA
SCHEMBL21313402 0.78 ALDH1A1 (0.36) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL28311990 0.77 ALDH1A1 (0.31) ALDH1A1TSHRCYP3A4ALOX15TDP1
Ethane SCHEMBL28262604 0.76 ALDH1A1 (0.37) ALDH1A1TSHRCYP3A4ALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106608935-B Catalytic component, catalyst and its application for olefinic polymerization 中国石油化工股份有限公司 2019-07-19 CN disclosed
CN-106608937-B Catalytic component and its preparation method and application for olefinic polymerization 中国石油化工股份有限公司 2019-04-19 CN disclosed
CN-106608933-B Catalytic component and its preparation method and application for olefinic polymerization 中国石油化工股份有限公司 2019-03-26 CN disclosed
CN-109111535-A Catalytic component and its catalyst for olefinic polymerization 中国石油化工股份有限公司 2019-01-01 CN disclosed
CN-109111538-A Catalytic component and its catalyst for olefinic polymerization 中国石油化工股份有限公司 2019-01-01 CN disclosed
CN-106608841-B The preparation method of 2- cyano -2,3- dialkyl succinic acid dialkyl ester class compounds 中国石油化工股份有限公司 2018-06-12 CN disclosed