SCHEMBL28023447

SCHEMBL28023447

CCCCCCCCC(C)(OC(C)=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMPD1 P17405 2/20 0.39
CES2 O00748 1/20 0.39
FDPS P14324 1/20 0.39
PPARG P37231 6/20 0.38
PPARD Q03181 6/20 0.38
PPARA Q07869 6/20 0.38
HDAC11 Q96DB2 5/20 0.38
TSHR P16473 4/20 0.38
GPR84 Q9NQS5 4/20 0.38
TLR2 O60603 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
FABP4 P15090 2/20 0.38
PTPN1 P18031 2/20 0.38

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
SCHEMBL28497128 1.00 GAA (0.48) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL28022787 1.00 GAA (0.48) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL14142393 1.00 GAA (0.48) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL17023949 0.92 GAA (0.52) GAAALDH1A1ATMFDPSTSHR
SCHEMBL15618963 0.92 GAA (0.52) GAAALDH1A1ATMFDPSTSHR
SCHEMBL17023959 0.92 GAA (0.52) GAAALDH1A1ATMFDPSTSHR
SCHEMBL28023531 0.86 TSHR (0.40) ALDH1A1MEN1KMT2AMAPTATM
SCHEMBL28022853 0.84 NAAA (0.44) ALDH1A1MEN1KMT2ASMPD1CES2
SCHEMBL28023338 0.84 NAAA (0.44) ALDH1A1MEN1KMT2ASMPD1CES2
SCHEMBL3326996 0.83 GAA (0.50) GAAALDH1A1MEN1KMT2AMAPT

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