SCHEMBL28475385

SCHEMBL28475385

B.CCCCOC(C)C(OCCCC)(OCCCC)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TSHR P16473 3/20 0.33
TP53 P04637 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
ATM Q13315 1/20 0.32
PLA2G4B P0C869 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PPARG P37231 2/20 0.31
HPGD P15428 1/20 0.31
PPARA Q07869 1/20 0.31
RARB P10826 2/20 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
SCHEMBL678322 0.76 GPR84 (0.40) TSHRTP53HPGD
SCHEMBL4559352 0.74 GPR84 (0.39) TSHRTP53HPGD
SCHEMBL8023987 0.74 HSPD1 (0.38) ALDH1A1TSHRHCAR2ATMTDP1
SCHEMBL1302512 0.72 HSPD1 (0.37) ALDH1A1TSHRTP53HCAR2ATM
SCHEMBL28565059 0.72 LMNA (0.33)
SCHEMBL8859012 0.72 DNM1 (0.35) ALDH1A1TSHR
SCHEMBL4125249 0.70 MMP8 (0.37) ALDH1A1TSHRTP53HCAR2ATM
SCHEMBL1303463 0.69 AKR1B1 (0.41) ALDH1A1TSHRTDP1PPARGPPARA
SCHEMBL3284625 0.68 ALDH1A1 (0.40) ALDH1A1TSHRTP53HCAR2ATM
SCHEMBL3284825 0.68 ALDH1A1 (0.40) ALDH1A1TSHRTP53HCAR2ATM

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-109181797-B Efficient gasoline detergent and preparation method thereof 青岛涌泉华能源科技有限公司 2020-11-17 CN claimed
CN-109181797-B Efficient gasoline detergent and preparation method thereof 青岛涌泉华能源科技有限公司 2020-11-17 CN disclosed