SCHEMBL28286201

SCHEMBL28286201

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.42
MME P08473 3/20 0.38
CPA1 P15085 3/20 0.36
CPB1 P15086 1/20 0.36
CPA3 P15088 1/20 0.36
CPB2 Q96IY4 1/20 0.36
SLC1A2 P43004 3/20 0.35
TDP1 Q9NUW8 1/20 0.34
CACNA2D1 P54289 2/20 0.34
SLC1A3 P43003 2/20 0.34
CACNB3 P54284 1/20 0.34
CACNA1C Q13936 1/20 0.34
PGR P06401 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
SLC1A1 P43005 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
SCHEMBL28226666 0.81 FOLH1 (0.39) FOLH1MMECPA1CPB1CPA3
SCHEMBL28602529 0.78 CHRM1 (0.56) SLC1A2TDP1SLC1A3ADRA1ASMN1; SMN2
SCHEMBL1395015 0.78
SCHEMBL524140 0.78 FOLH1 (0.62) FOLH1MMECPA1CPB1CPA3
SCHEMBL14591440 0.78 FOLH1 (0.62) FOLH1MMECPA1CPB1CPA3
SCHEMBL28227500 0.77 SLC1A2 (0.42) FOLH1MMECPA1CPB1CPA3
SCHEMBL307076 0.76 MME (0.56) FOLH1MMECPA1CPB1CPA3
SCHEMBL5870523 0.76 MME (0.56) FOLH1MMECPA1CPB1CPA3
SCHEMBL15092131 0.76 TSHR (0.37) FOLH1SLC1A2SLC1A3SLC1A1
SCHEMBL7262370 0.76 MME (0.56) FOLH1MMECPA1CPB1CPA3

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 3 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 claimed
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