SCHEMBL28023339

SCHEMBL28023339

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
ADORA3 P0DMS8 1/20 0.36
ALDH1A1 P00352 4/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
THRB P10828 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL19036257 0.83 GAA (0.70) GAAALDH1A1LMNAHSD17B10TSHR
SCHEMBL6321209 0.79 GAA (0.52) GAAALDH1A1LMNAHSD17B10TSHR
SCHEMBL6314494 0.79 GAA (0.52) GAAALDH1A1LMNAHSD17B10
SCHEMBL1396429 0.79 ADORA3 (0.35) GAAADORA3ALDH1A1TSHRPPARG
SCHEMBL3874321 0.79 ADORA3 (0.35) GAAADORA3ALDH1A1TSHRPPARG
SCHEMBL1396427 0.79 ADORA3 (0.35) GAAADORA3ALDH1A1TSHRPPARG
SCHEMBL2172424 0.79 GAA (0.52) GAAALDH1A1LMNAHSD17B10
SCHEMBL6314268 0.79 GAA (0.52) GAAALDH1A1LMNAHSD17B10
SCHEMBL31515323 0.79 GAA (0.43) GAAADORA3PPARGPPARA
SCHEMBL15618963 0.79 GAA (0.52) GAAALDH1A1TSHR

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