Octinoxate

Octinoxate

SCHEMBL6931359

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

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.77
LMNA P02545 4/20 0.68
ALDH1A1 P00352 2/20 0.57
CYP3A4 P08684 2/20 0.57
CA2 P00918 1/20 0.57
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
MAOB P27338 3/20 0.51
CASP3 P42574 2/20 0.51
SENP7 Q9BQF6 2/20 0.51
SENP6 Q9GZR1 2/20 0.51
MAPT P10636 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
MAOA P21397 1/20 0.51
SENP8 Q96LD8 1/20 0.51
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47

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 SCHEMBL15823032 0.93 TDP1 (0.77) TDP1LMNAALDH1A1CYP3A4CA2
Octinoxate SCHEMBL9295689 0.91 TDP1 (0.64) TDP1LMNAALDH1A1CYP3A4CA2
Octinoxate SCHEMBL4669379 0.90 TDP1 (0.68) TDP1LMNAALDH1A1CYP3A4CA2
Octinoxate SCHEMBL15609 0.88 TDP1 (1.00) TDP1LMNAALDH1A1CYP3A4CA2
Octinoxate SCHEMBL30252195 0.88 TDP1 (1.00) TDP1LMNAALDH1A1CYP3A4CA2
Octinoxate SCHEMBL12533330 0.88 TDP1 (1.00) TDP1LMNAALDH1A1CYP3A4CA2
Octinoxate SCHEMBL15803545 0.88 TDP1 (1.00) TDP1LMNAALDH1A1CYP3A4CA2
Octinoxate SCHEMBL1768913 0.88 TDP1 (1.00) TDP1LMNAALDH1A1CYP3A4CA2
Octinoxate SCHEMBL39360 0.88 TDP1 (1.00) TDP1LMNAALDH1A1CYP3A4CA2
Octinoxate SCHEMBL28243144 0.87 TDP1 (0.98) TDP1LMNAALDH1A1CYP3A4CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1217985-A4 SUNSCREEN LOTION OR SPRAY COMPOSITION PLAYTEX PRODUCTS INC (US) 2003-07-30 EP claimed
EP-1217985-A1 SUNSCREEN LOTION OR SPRAY COMPOSITION PLAYTEX PRODUCTS, INC. (US) 2002-07-03 EP claimed
WO-2001012146-A1 SUNSCREEN LOTION OR SPRAY COMPOSITION PLAYTEX PRODUCTS, INC. (US) 2001-02-22 WO claimed
EP-3126417-A1 VINYL LACTAM-DERIVED POLYMERS, COMPOSITIONS THEREOF HAVING ENHANCED WATER-RESISTANCE, AND METHODS OF USE THEREOF ISP Investments Inc. (US) 2017-02-08 EP disclosed
WO-2015153461-A1 VINYL LACTAM-DERIVED POLYMERS, COMPOSITIONS THEREOF HAVING ENHANCED WATER-RESISTANCE, AND METHODS OF USE THEREOF ISP INVESTMENTS INC. (US) 2015-10-08 WO disclosed
WO-2014149486-A1 POLYMERS POLYMERIZED FROM AT LEAST FOUR MONOMERS, AND COMPOSITIONS AND USES THEREOF ISP INVESTMENTS INC. (US) 2014-09-25 WO disclosed
EP-2701670-A1 CLEAR WET SPRAYS AND GELS Isp Investments Inc. (US) 2014-03-05 EP disclosed
WO-2012149355-A1 CLEAR WET SPRAYS AND GELS ISP INVESTMENTS INC. (US) 2012-11-01 WO disclosed