SCHEMBL8216735

SCHEMBL8216735

CCC(C)C(=O)OCC(COC(=O)C(C)CC)(COC(=O)C(C)CC)COC(=O)C(C)CC

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.33
HIF1A Q16665 2/20 0.33
HTT P42858 1/20 0.33
MMP8 P22894 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL8218550 0.91 THRB (0.38) MAPK1HIF1AHTT
SCHEMBL26832067 0.89 ALDH1A1 (0.39) MAPK1HIF1AHTTALDH1A1TP53
SCHEMBL8208674 0.84 SERPINE1 (0.36) HTTMMP8TSHRCYP3A4HSD17B10
SCHEMBL3443441 0.84 LMNA (0.32) HTTMMP8TSHRCYP3A4HSD17B10
SCHEMBL13851193 0.82 THRB (0.37) MAPK1HIF1AALDH1A1TSHRTP53
SCHEMBL8308167 0.82 HTT (0.56) HTTALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL6367508 0.82 LMNA (0.31) HTTMMP8TSHRCYP3A4HSD17B10
SCHEMBL27280920 0.82 CHRM2 (0.33) HTT
SCHEMBL8219523 0.82 SMN1; SMN2 (0.41) MAPK1HIF1AHTTALDH1A1TSHR
SCHEMBL18674552 0.80 HTT (0.39) HTTMMP8HSD17B10

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
EP-0580308-B1 Working fluid composition for refrigeration machine KAO CORP (JP) 2000-11-15 EP disclosed
US-5395544-A Ester-containing working fluid composition for refrigerating machine KAO CORPORATION (JP) 1995-03-07 US disclosed
EP-0580308-A1 Working fluid composition for refrigeration machine KAO CORPORATION (JP) 1994-01-26 EP disclosed