Oxybenzone

Oxybenzone

SCHEMBL8723918

CCCCCC(CC)OC(=O)/C=C/c1ccc(OC)cc1.COc1ccc(C(=O)c2ccccc2)c(O)c1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
MAPK1 P28482 3/20 0.53
HPGD P15428 3/20 0.53
CYP2C19 P33261 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP1A2 P05177 1/20 0.53
PGR P06401 1/20 0.53
CYP2D6 P10635 1/20 0.53
SLC6A2 P23975 1/20 0.53
PDE4A P27815 1/20 0.53
HRH1 P35367 1/20 0.53
HTT P42858 1/20 0.53
SLC6A3 Q01959 1/20 0.53
PDE4D Q08499 1/20 0.53
APP P05067 12/20 0.49
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 3/20 0.48
ABCG2 Q9UNQ0 3/20 0.48
NPC1 O15118 1/20 0.48
RECQL P46063 1/20 0.48

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
Oxybenzone SCHEMBL8723921 1.00 LMNA (0.53) LMNAMAPK1HPGDCYP2C19ALDH1A1
Phenol SCHEMBL8729267 0.87 TDP1 (0.54) LMNAALDH1A1TDP1MAPTRECQL
Octinoxate SCHEMBL4163967 0.84 TDP1 (0.72) LMNAMAPK1HPGDCYP2C19ALDH1A1
4-Methoxycinnamic Acid SCHEMBL21195188 0.84 TDP1 (0.55) LMNAALDH1A1TDP1MAPTRECQL
SCHEMBL14698300 0.84 TDP1 (0.62) LMNATDP1MAPTATMMEN1
SCHEMBL35994 0.84 TDP1 (0.62) LMNATDP1MAPTATMMEN1
SCHEMBL35995 0.84 TDP1 (0.62) LMNATDP1MAPTATMMEN1
4-Methoxycinnamic Acid SCHEMBL19717781 0.83 TDP1 (0.58) LMNATDP1MAPTNPC1RECQL
SCHEMBL28036638 0.83 TDP1 (0.61) LMNATDP1MAPTATMMEN1
SCHEMBL670602 0.83 MAOB (0.52) LMNAMAPK1HPGDCYP2C19ALDH1A1

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
US-5827506-A MIXTURE OF DIHYDROXYACETONE AND AN AMINO ACID FOR APPLICATION TO SKIN SCHERING-PLOUGH HEALTHCARE PRODUCTS, INC. (US) 1998-10-27 US disclosed
EP-0501714-B1 Cationic compositions for skin UNILEVER PLC (GB) 1997-05-02 EP disclosed