SCHEMBL28022769

SCHEMBL28022769

CCC(=O)OC(CC(C)C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.46
LAP3 P28838 2/20 0.43
RNPEP Q9H4A4 1/20 0.40
SLC7A5 Q01650 1/20 0.40
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
CACNA2D1 P54289 2/20 0.35
CACNB3 P54284 1/20 0.35
CACNA1C Q13936 1/20 0.35
PGR P06401 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
CACNA2D2 Q9NY47 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35

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
SCHEMBL28022897 0.82 FOLH1 (0.38) FOLH1LAP3RNPEPMMP1MMP2
SCHEMBL28023347 0.80 SMN1; SMN2 (0.39) MMP1MMP2MMP3MMP9MMP13
SCHEMBL19301334 0.80 FOLH1 (0.50) FOLH1LAP3RNPEPSLC7A5MMP1
SCHEMBL28183601 0.79 BLM (0.40) FOLH1MMP1MMP2MMP3MMP9
SCHEMBL28446696 0.78 MEN1 (0.35) MMP1MMP2MMP3MMP9MMP13
SCHEMBL2482032 0.78 FOLH1 (0.49) FOLH1LAP3RNPEPSLC7A5CACNA2D1
SCHEMBL16286566 0.78 FOLH1 (0.49) FOLH1LAP3RNPEPSLC7A5CACNA2D1
SCHEMBL6797456 0.78 CYP19A1 (0.47) LAP3RNPEPSLC7A5MMP1MMP2
SCHEMBL28820895 0.77 BLM (0.39) FOLH1MMP1MMP2MMP3MMP9
SCHEMBL28023377 0.77 BLM (0.39) FOLH1MMP1MMP2MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104755510-A Ziegler-Natta catalyst systems comprising a 1,2-phenylenedioate as internal donor and process for preparing the same INDIAN OIL CORP LTD 2015-07-01 CN claimed
CN-104755510-A Ziegler-Natta catalyst systems comprising a 1,2-phenylenedioate as internal donor and process for preparing the same INDIAN OIL CORP LTD 2015-07-01 CN disclosed