SCHEMBL28645587

SCHEMBL28645587

C=C(CC)C(=O)OC(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.52
TSHR P16473 4/20 0.49
LMNA P02545 2/20 0.48
PAM P19021 2/20 0.47
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
CES2 O00748 3/20 0.45
CES1 P23141 3/20 0.45
PPARG P37231 5/20 0.43
PPARD Q03181 5/20 0.43
PPARA Q07869 5/20 0.43
HDAC11 Q96DB2 4/20 0.43
GPR84 Q9NQS5 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TLR2 O60603 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
FABP4 P15090 2/20 0.43
PTPN1 P18031 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43

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
SCHEMBL29187200 1.00 DGKA (0.52) DGKATSHRLMNAPAMMAPT
SCHEMBL8995711 1.00 DGKA (0.52) DGKATSHRLMNAPAMMAPT
SCHEMBL7515764 0.92 ALDH1A1 (0.42) DGKATSHRLMNAPAMMAPT
SCHEMBL7518253 0.88 TSHR (0.42) DGKATSHRLMNAPAMMAPT
SCHEMBL15399814 0.87 DGKA (0.47) DGKATSHRLMNAPAMMAPT
SCHEMBL31619146 0.87 DGKA (0.47) DGKATSHRLMNAPAMMAPT
SCHEMBL31619147 0.87 DGKA (0.47) DGKATSHRLMNAPAMMAPT
SCHEMBL28449696 0.86 DGKA (0.61) DGKATSHRLMNAPAMMAPT
SCHEMBL28650194 0.86 DGKA (0.61) DGKATSHRLMNAPAMMAPT
SCHEMBL28299751 0.86 DGKA (0.61) DGKATSHRLMNAPAMMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113412323-A Water-repellent composition 大金工业株式会社 2021-09-17 CN disclosed