SCHEMBL28022768

SCHEMBL28022768

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.40
CES2 O00748 1/20 0.38
PAM P19021 2/20 0.33
AKR1B1 P15121 1/20 0.33
SMPD1 P17405 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
GPR84 Q9NQS5 4/20 0.32
GGPS1 O95749 2/20 0.32
DGKA P23743 1/20 0.32
FFAR1 O14842 1/20 0.32
FDPS P14324 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 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
SCHEMBL28023456 0.98 NAAA (0.43) NAAACES2PAMGPR84FFAR1
SCHEMBL28023360 0.86 PAM (0.46) NAAAPAMMAPTMAPK1GPR84
SCHEMBL28023513 0.84 CES2 (0.39) CES2AKR1B1MAPTGPR84ALDH1A1
SCHEMBL28820880 0.82 CES2 (0.42) CES2MAPTGPR84FFAR1ALDH1A1
SCHEMBL15903072 0.82 CES2 (0.42) CES2MAPTGPR84FFAR1ALDH1A1
SCHEMBL4445628 0.81 CES2 (0.44) CES2GPR84FFAR1ALDH1A1TSHR
SCHEMBL8682806 0.76 MEN1 (0.39) CES2PAMMAPTGPR84FFAR1
SCHEMBL28022853 0.75 NAAA (0.44) NAAACES2PAMSMPD1GPR84
SCHEMBL28023338 0.75 NAAA (0.44) NAAACES2PAMSMPD1GPR84
SCHEMBL28023414 0.75 CES2 (0.42) NAAACES2TSHR

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 2 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-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