SCHEMBL28022853

SCHEMBL28022853

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
SMPD1 P17405 2/20 0.38
CES2 O00748 1/20 0.38
FDPS P14324 1/20 0.38
PAM P19021 2/20 0.37
TSHR P16473 3/20 0.37
TP53 P04637 1/20 0.37
PPARG P37231 3/20 0.36
PPARD Q03181 3/20 0.36
PPARA Q07869 3/20 0.36
GPR84 Q9NQS5 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
TLR2 O60603 1/20 0.36
MEN1 O00255 1/20 0.36
ESR1 P03372 1/20 0.36
FABP4 P15090 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
SCHEMBL28023338 1.00 NAAA (0.44) NAAASMPD1CES2FDPSPAM
SCHEMBL17023972 0.93 NAAA (0.38) NAAAFDPSPAMTSHRTP53
SCHEMBL17023971 0.93 NAAA (0.38) NAAAFDPSPAMTSHRTP53
SCHEMBL17023960 0.93 NAAA (0.38) NAAAFDPSPAMTSHRTP53
SCHEMBL28022715 0.88 PAM (0.47) PAMTSHRPPARGPPARDPPARA
SCHEMBL28022796 0.88 PAM (0.47) PAMTSHRPPARGPPARDPPARA
SCHEMBL28246112 0.88 PAM (0.47) PAMTSHRPPARGPPARDPPARA
SCHEMBL8997387 0.84 PAM (0.51) PAMTSHRPPARGPPARDPPARA
SCHEMBL14142393 0.84 GAA (0.48) SMPD1CES2FDPSTSHRPPARG
SCHEMBL28497128 0.84 GAA (0.48) SMPD1CES2FDPSTSHRPPARG

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