SCHEMBL28023347

SCHEMBL28023347

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
FFAR3 O14843 1/20 0.35
ACE P12821 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ESR1 P03372 1/20 0.33
HIF1A Q16665 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
KLK7 P49862 2/20 0.33
CA2 P00918 1/20 0.32
MAPK1 P28482 1/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 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
SCHEMBL1404146 0.84 KLK7 (0.38) SMN1; SMN2ACEMMP1MMP2MMP3
SCHEMBL28446696 0.84 MEN1 (0.35) SMN1; SMN2MEN1CYP2C19RECQLKMT2A
SCHEMBL9065289 0.82 ALDH1A1 (0.46) SMN1; SMN2MEN1KMT2AFFAR3ACE
SCHEMBL28023389 0.82 CHRM1 (0.44) MEN1CYP2C19RECQLKMT2AALDH1A1
SCHEMBL19846190 0.82 MEN1 (0.38) SMN1; SMN2MEN1CYP2C19RECQLKMT2A
SCHEMBL1396424 0.82 CHRM1 (0.44) MEN1CYP2C19RECQLKMT2AALDH1A1
SCHEMBL27701925 0.82 TSHR (0.41) SMN1; SMN2ACEMMP1MMP2MMP3
SCHEMBL18668788 0.82 SMN1; SMN2 (0.37) SMN1; SMN2ACEMMP1MMP2MMP3
SCHEMBL14918020 0.82 MEN1 (0.38) SMN1; SMN2MEN1CYP2C19RECQLKMT2A
SCHEMBL4955492 0.80 MEN1 (0.33) MEN1CYP2C19RECQLKMT2AFFAR3

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-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-112791108-B Preparation method of phellinus igniarius active ingredient and application of phellinus igniarius active ingredient in auxiliary hypoglycemic drugs 青岛农业大学 2022-05-03 CN disclosed
CN-112791108-A Preparation method of phellinus igniarius active ingredient and application of phellinus igniarius active ingredient in auxiliary hypoglycemic drugs or foods 青岛农业大学 2021-05-14 CN disclosed
CN-104755510-B Ziegler natta catalyst system of internal donor and preparation method thereof is used as comprising 1,2 phenylene diester 印度石油有限公司 2017-11-07 CN disclosed
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