Octisalate

Octisalate

SCHEMBL5457329

CCCCC(CC)COC(=O)c1ccccc1O.COc1ccc(C(=O)c2ccccc2)c(O)c1.COc1ccc(C(=O)c2ccccc2)c(O)c1

nearest known ligand 0.69

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.69
ALDH1A1 P00352 6/20 0.58
CYP3A4 P08684 3/20 0.58
CA2 P00918 1/20 0.58
HPGD P15428 4/20 0.58
MAPK1 P28482 3/20 0.58
CYP1A2 P05177 2/20 0.58
PGR P06401 2/20 0.58
SLC6A2 P23975 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP2D6 P10635 1/20 0.58
PDE4A P27815 1/20 0.58
HRH1 P35367 1/20 0.58
HTT P42858 1/20 0.58
SLC6A3 Q01959 1/20 0.58
PDE4D Q08499 1/20 0.58
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
TSHR P16473 2/20 0.53

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
Octisalate SCHEMBL2783632 1.00 LMNA (0.69) LMNAALDH1A1CYP3A4CA2HPGD
Octisalate SCHEMBL28207366 0.94 LMNA (0.75) LMNAALDH1A1CYP3A4CA2HPGD
Octinoxate SCHEMBL9295689 0.90 TDP1 (0.64) LMNAALDH1A1CYP3A4CA2HPGD
SCHEMBL9062509 0.88 LMNA (0.69) LMNAALDH1A1CYP3A4CA2HPGD
Padimate O SCHEMBL28238636 0.84 ALDH1A1 (0.65) LMNAALDH1A1CYP3A4CA2HPGD
Oxybenzone SCHEMBL2783635 0.84 LMNA (0.62) LMNAALDH1A1CYP3A4HPGDMAPK1
Octisalate SCHEMBL31160283 0.83 LMNA (1.00) LMNAALDH1A1CYP3A4CA2MAPK1
Octisalate SCHEMBL31160278 0.83 LMNA (1.00) LMNAALDH1A1CYP3A4CA2MAPK1
Octisalate SCHEMBL29362543 0.83 LMNA (1.00) LMNAALDH1A1CYP3A4CA2MAPK1
Octisalate SCHEMBL39594 0.83 LMNA (1.00) LMNAALDH1A1CYP3A4CA2MAPK1

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
US-20070189992-A1 Sunscreen Safety and Efficacy Enhancement with Manganese Complexes via Urocanate Pathway BIODERM RESEARCH (US) 2007-08-16 US disclosed