SCHEMBL28117429

SCHEMBL28117429

CCCCOC(=O)CC(C)CC(=O)OCCCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
NAAA Q02083 1/20 0.52
ATM Q13315 1/20 0.48
DGKA P23743 1/20 0.47
TSHR P16473 2/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
RAD52 P43351 1/20 0.44
FAAH O00519 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
HTR2C P28335 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL16546165 0.92 ALDH1A1 (0.50) ALDH1A1NAAAATMDGKATSHR
SCHEMBL23646835 0.92 NAAA (0.48) ALDH1A1NAAAATMDGKATSHR
SCHEMBL19007851 0.90 NAAA (0.47) ALDH1A1NAAAATMDGKATSHR
SCHEMBL1881321 0.90 NAAA (0.47) ALDH1A1NAAAATMDGKATSHR
SCHEMBL27735585 0.88 NAAA (0.46) ALDH1A1NAAAATMDGKATSHR
SCHEMBL27797391 0.88 NAAA (0.46) ALDH1A1NAAAATMDGKATSHR
SCHEMBL15958786 0.88 NAAA (0.46) ALDH1A1NAAAATMDGKATSHR
SCHEMBL28132931 0.88 NAAA (0.50) ALDH1A1NAAAATMDGKATSHR
SCHEMBL1866046 0.87 ALDH1A1 (0.52) ALDH1A1NAAAATMDGKATSHR
SCHEMBL95383 0.87 ALDH1A1 (0.52) ALDH1A1NAAAATMDGKATSHR

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-106380729-B Novel PVC heat stabilizer 邵卫东 2019-01-29 CN disclosed
CN-106380729-A Novel PVC heat stablizer 邵卫东 2017-02-08 CN disclosed