SCHEMBL28820880

SCHEMBL28820880

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPR84 Q9NQS5 7/20 0.36
PPARG P37231 7/20 0.36
PPARD Q03181 7/20 0.36
PPARA Q07869 7/20 0.36
HDAC11 Q96DB2 5/20 0.36
TSHR P16473 4/20 0.36
PTPN1 P18031 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TLR2 O60603 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
FABP4 P15090 2/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
ESR1 P03372 1/20 0.36

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
SCHEMBL15903072 1.00 CES2 (0.42) CES2MEN1KMT2AMAPTATM
SCHEMBL28023513 0.98 CES2 (0.39) CES2MEN1KMT2AMAPTATM
SCHEMBL8682806 0.95 MEN1 (0.39) CES2MEN1KMT2AMAPTATM
SCHEMBL28492861 0.89 MEN1 (0.38) CES2MEN1KMT2AMAPTATM
SCHEMBL28023456 0.84 NAAA (0.43) CES2MEN1KMT2AGPR84PPARG
SCHEMBL4445628 0.84 CES2 (0.44) CES2MEN1KMT2AGPR84PPARG
SCHEMBL28023360 0.83 PAM (0.46) MEN1KMT2AMAPTGPR84PPARG
SCHEMBL28022768 0.82 NAAA (0.40) CES2MAPTGPR84PPARGPPARD
SCHEMBL28023359 0.79 CES2 (0.42) CES2MEN1KMT2ATSHRTDP1
SCHEMBL28023414 0.79 CES2 (0.42) CES2MEN1KMT2ATSHRTDP1

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-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-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