Octinoxate

Octinoxate

SCHEMBL8025822

CCCCC(CC)COC(=O)C=Cc1ccc(OC)cc1.CCCCC(OC)(C(=O)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.73

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.73
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
LMNA P02545 4/20 0.44
CYP3A4 P08684 2/20 0.43
BCHE P06276 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.42
CA2 P00918 1/20 0.42
TSHR P16473 1/20 0.42
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
TRPM8 Q7Z2W7 2/20 0.40
SMN1; SMN2 Q16637 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
Octinoxate SCHEMBL1408448 0.88 TDP1 (0.84) TDP1KMT2AMEN1TAS1R3TAS1R1
Octinoxate SCHEMBL12533330 0.86 TDP1 (1.00) TDP1KMT2AMEN1TAS1R3TAS1R1
Octinoxate SCHEMBL15803545 0.86 TDP1 (1.00) TDP1KMT2AMEN1TAS1R3TAS1R1
Octinoxate SCHEMBL1768913 0.86 TDP1 (1.00) TDP1KMT2AMEN1TAS1R3TAS1R1
Octinoxate SCHEMBL15609 0.86 TDP1 (1.00) TDP1KMT2AMEN1TAS1R3TAS1R1
Octinoxate SCHEMBL30252195 0.86 TDP1 (1.00) TDP1KMT2AMEN1TAS1R3TAS1R1
Octinoxate SCHEMBL39360 0.86 TDP1 (1.00) TDP1KMT2AMEN1TAS1R3TAS1R1
Octinoxate SCHEMBL28243144 0.84 TDP1 (0.98) TDP1KMT2AMEN1TAS1R3TAS1R1
Octinoxate SCHEMBL3845221 0.83 TDP1 (0.89) TDP1KMT2AMEN1TAS1R3TAS1R1
Octinoxate SCHEMBL20590507 0.82 TDP1 (0.87) TDP1KMT2AMEN1TAS1R3TAS1R1

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
WO-2000069409-A1 METHODS FOR UPREGULATING AND/OR MODULATING KGF PRODUCTION AND INCREASING RECEPTIVITY OF KERATINOCYTES TO KGF THE PROCTER & GAMBLE COMPANY (US) 2000-11-23 WO disclosed
EP-0313303-B1 Photoprotection compositions comprising tocopherol sorbate and an anti-inflammatory agent PROCTER & GAMBLE (US) 1994-04-27 EP disclosed