SCHEMBL28117899

SCHEMBL28117899

CCCCCCCCCOC(=O)c1ccccc1C(=O)OCC(CC)CCCC

nearest known ligand 0.85

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.85
PRSS2 P07478 1/20 0.85
PRSS3 P35030 1/20 0.85
ALDH1A1 P00352 12/20 0.84
CYP3A4 P08684 5/20 0.84
CA2 P00918 1/20 0.84
LMNA P02545 5/20 0.72
TSHR P16473 7/20 0.71
MAPK1 P28482 4/20 0.68
TP53 P04637 1/20 0.68
L3MBTL1 Q9Y468 3/20 0.61
TDP1 Q9NUW8 3/20 0.61
HSD17B10 Q99714 3/20 0.59
KDM4E B2RXH2 2/20 0.59
POLB P06746 1/20 0.59
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ATM Q13315 1/20 0.48

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
Bis(2-Ethylhexyl) Phthalate SCHEMBL9473452 1.00 PRSS1 (0.85) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL28117954 1.00 PRSS1 (0.85) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL27964979 1.00 PRSS1 (0.85) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL29662788 1.00 PRSS1 (0.85) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL30801429 1.00 PRSS1 (0.85) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
Bis(2-Ethylhexyl) Phthalate SCHEMBL6245567 1.00 PRSS1 (0.85) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL2351535 1.00 PRSS1 (0.85) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
Bis(2-Ethylhexyl) Phthalate SCHEMBL8498138 1.00 PRSS1 (0.85) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL2355245 0.99 ALDH1A1 (0.86) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
Bis(2-Ethylhexyl) Phthalate SCHEMBL10614424 0.95 PRSS1 (0.77) PRSS1PRSS2PRSS3ALDH1A1CYP3A4

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