SCHEMBL28642500

SCHEMBL28642500

CCOC(=O)CC(OCC)OC(=O)CCOC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
ALOX15 P16050 3/20 0.39
TSHR P16473 3/20 0.39
CYP3A4 P08684 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
CHRM1 P11229 1/20 0.35
ADORA1 P30542 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TRPA1 O75762 1/20 0.33
CYP1A2 P05177 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 2/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 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
SCHEMBL204730 0.78 GAA (0.50) ALDH1A1ALOX15TSHRCYP3A4TDP1
SCHEMBL4966366 0.77 MGAM (0.44) ALDH1A1ALOX15TSHRCYP3A4TDP1
SCHEMBL107227 0.76
SCHEMBL22080183 0.73 GAA (0.42) ALDH1A1ALOX15TSHRCYP3A4TDP1
SCHEMBL15902482 0.71 GAA (0.52) ALDH1A1TSHRGAAMGAMSI
SCHEMBL8574175 0.71 MGAM (0.46) ALDH1A1ALOX15TSHRCYP3A4TDP1
SCHEMBL1881682 0.71 NAAA (0.38) ALDH1A1ALOX15TSHRCYP3A4TDP1
SCHEMBL16746677 0.71 GAA (0.35) ALDH1A1ALOX15TSHRCYP3A4TDP1
SCHEMBL1873215 0.70 GAA (0.50) ALDH1A1ALOX15TSHRCYP3A4TDP1
SCHEMBL24205655 0.70 GAA (0.44) ALDH1A1ALOX15TSHRCYP3A4TDP1

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-108473764-B Composition for forming flexible device substrate 日产化学工业株式会社 2021-09-28 CN disclosed