SCHEMBL28601727

SCHEMBL28601727

CC(C)C(=O)O.OCC(CO)(CO)COCC(CO)(CO)CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.33
TP53 P04637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP1A2 P05177 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31

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
Lactic Acid SCHEMBL28444410 0.89 TP53 (0.48) GABRR1TP53ALDH1A1CYP3A4MAPK1
SCHEMBL1171017 0.87 RNPEP (0.35) GABRR1TP53ALDH1A1CYP3A4MAPK1
SCHEMBL16536081 0.87 RNPEP (0.35) GABRR1TP53ALDH1A1CYP3A4MAPK1
Acetic Acid SCHEMBL2578978 0.83 FFAR3 (0.37) TP53ALDH1A1CYP3A4MAPK1SMN1; SMN2
Acetic Acid SCHEMBL813643 0.83 FFAR3 (0.37) TP53ALDH1A1CYP3A4MAPK1SMN1; SMN2
Acetic Acid SCHEMBL11542884 0.83 FFAR3 (0.37) TP53ALDH1A1CYP3A4MAPK1SMN1; SMN2
Acetic Acid SCHEMBL10338274 0.83 FFAR3 (0.37) TP53ALDH1A1CYP3A4MAPK1SMN1; SMN2
SCHEMBL11365409 0.83 GABRR1 (0.40) GABRR1TP53ALDH1A1CYP1A2CHRM1
SCHEMBL28610519 0.83 GABRR1 (0.40) GABRR1TP53ALDH1A1CYP1A2CHRM1
SCHEMBL11363406 0.83 GABRR1 (0.40) GABRR1TP53ALDH1A1CYP1A2CHRM1

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-109370703-B Refrigerator oil base oil, preparation method thereof, refrigerator oil, working fluid composition for compressor and compressor 珠海格力节能环保制冷技术研究中心有限公司 2021-07-20 CN disclosed
CN-109370703-A Refrigerator oil base oil, preparation method, refrigerator oil, compressor working fluid composition and compressor 珠海格力节能环保制冷技术研究中心有限公司 2019-02-22 CN disclosed