Octinoxate

Octinoxate

SCHEMBL4669379

CCCCC(CC)COC(=O)/C=C/c1ccc(OC)cc1.CCCCCC(CC)OC(=O)c1ccccc1O

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.68
LMNA P02545 3/20 0.55
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
CA2 P00918 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAOB P27338 3/20 0.45
CASP3 P42574 2/20 0.45
SENP7 Q9BQF6 2/20 0.45
SENP6 Q9GZR1 2/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
MAOA P21397 1/20 0.45
CYP2C19 P33261 1/20 0.45
SENP8 Q96LD8 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42

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
Octinoxate SCHEMBL6931359 0.90 TDP1 (0.77) TDP1LMNAPRSS1PRSS2PRSS3
SCHEMBL670602 0.90 MAOB (0.52) TDP1LMNAALDH1A1MAOBCASP3
Octinoxate SCHEMBL7606017 0.88 TDP1 (0.82) TDP1LMNAPRSS1PRSS2PRSS3
Octinoxate SCHEMBL15823032 0.87 TDP1 (0.77) TDP1LMNAPRSS1PRSS2PRSS3
SCHEMBL28438246 0.84 TDP1 (0.48) TDP1LMNAALDH1A1CYP3A4MAOB
Octinoxate SCHEMBL420736 0.83 TDP1 (0.68) TDP1LMNAPRSS1PRSS2PRSS3
Octisalate SCHEMBL15157653 0.83 LMNA (0.80) TDP1LMNAPRSS1PRSS2PRSS3
SCHEMBL1960360 0.83 TDP1 (0.91) TDP1LMNAPRSS1PRSS2PRSS3
SCHEMBL9098850 0.83 TDP1 (0.91) TDP1LMNAPRSS1PRSS2PRSS3
SCHEMBL1960361 0.83 TDP1 (0.91) TDP1LMNAPRSS1PRSS2PRSS3

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-1539098-A4 COSMETIC COMPOSITION CONTAINING MICROCRYSTALLINE CELLULOSE FMC CORP (US) 2008-09-24 EP disclosed
EP-1539098-A2 COSMETIC COMPOSITION CONTAINING MICROCRYSTALLINE CELLULOSE FMC CORPORATION (US) 2005-06-15 EP disclosed
WO-2004026263-A2 COSMETIC COMPOSITION CONTAINING MICROCRYSTALLINE CELLULOSE FMC CORPORATION (US) 2004-04-01 WO disclosed