SCHEMBL28022897

SCHEMBL28022897

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
BLM P54132 1/20 0.34
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 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
SCHEMBL28183601 0.89 BLM (0.40) FOLH1MMP1MMP2MMP3MMP9
SCHEMBL28023377 0.87 BLM (0.39) FOLH1MMP1MMP2MMP3MMP9
SCHEMBL28820895 0.87 BLM (0.39) FOLH1MMP1MMP2MMP3MMP9
SCHEMBL1396424 0.83 CHRM1 (0.44) FOLH1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL28023389 0.83 CHRM1 (0.44) FOLH1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL28022769 0.82 FOLH1 (0.46) FOLH1MMP1MMP2MMP3MMP9
SCHEMBL28022744 0.80 CA2 (0.45) SLC1A3SLC1A2SLC1A1CHRM1AKR1A1
SCHEMBL28022777 0.79 TSHR (0.42) FOLH1MMP1MMP2MMP3MMP9
SCHEMBL28023347 0.79 SMN1; SMN2 (0.39) MMP1MMP2MMP3MMP9MMP13
SCHEMBL6003876 0.77 GPR84 (0.50) MEN1RECQLKMT2A

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