Octinoxate

Octinoxate

SCHEMBL1408448

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

nearest known ligand 0.84

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.84
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 4/20 0.50
TAS1R3 Q7RTX0 3/20 0.50
TAS1R1 Q7RTX1 3/20 0.50
CYP3A4 P08684 2/20 0.49
BCHE P06276 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
ALDH1A1 P00352 3/20 0.47
CA2 P00918 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
TRPM8 Q7Z2W7 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 1/20 0.44

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 SCHEMBL15609 0.92 TDP1 (1.00) TDP1MEN1KMT2ALMNATAS1R3
Octinoxate SCHEMBL39360 0.92 TDP1 (1.00) TDP1MEN1KMT2ALMNATAS1R3
Octinoxate SCHEMBL1768913 0.92 TDP1 (1.00) TDP1MEN1KMT2ALMNATAS1R3
Octinoxate SCHEMBL15803545 0.92 TDP1 (1.00) TDP1MEN1KMT2ALMNATAS1R3
Octinoxate SCHEMBL12533330 0.92 TDP1 (1.00) TDP1MEN1KMT2ALMNATAS1R3
Octinoxate SCHEMBL30252195 0.92 TDP1 (1.00) TDP1MEN1KMT2ALMNATAS1R3
Octinoxate SCHEMBL4163967 0.91 TDP1 (0.72) TDP1MEN1KMT2ALMNATAS1R3
Octinoxate SCHEMBL28243144 0.90 TDP1 (0.98) TDP1MEN1KMT2ALMNATAS1R3
Octinoxate SCHEMBL3845221 0.89 TDP1 (0.89) TDP1MEN1KMT2ALMNATAS1R3
Octinoxate SCHEMBL8025822 0.88 TDP1 (0.73) TDP1MEN1KMT2ALMNATAS1R3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1364995-B1 Toner compositions XEROX CORP (US) 2011-03-09 EP disclosed
US-6680153-B2 Comprises acrylic acid-styrene copolymer, carbon black, and ultraviolet stabilizer; electrography, lithography XEROX CORPORATION 2004-01-20 US disclosed
US-20030219668-A1 TONER COMPOSITIONS XEROX CORPORATION 2003-11-27 US disclosed
EP-1364995-A1 Toner compositions Xerox Corporation (US) 2003-11-26 EP disclosed