Dioxybenzone

Dioxybenzone

SCHEMBL7936480

COc1ccc(C(=O)c2ccc(OC)cc2O)c(O)c1.COc1ccc(C(=O)c2ccccc2O)c(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 1.00
▸ CYP2C19 P33261 4/20 1.00
▸ HPGD P15428 3/20 1.00
▸ CYP3A4 P08684 3/20 1.00
▸ CYP1A2 P05177 2/20 1.00
▸ PGR P06401 2/20 1.00
▸ SLC6A2 P23975 2/20 1.00
▸ ADORA3 P0DMS8 1/20 1.00
▸ AR P10275 1/20 1.00
▸ CHRM1 P11229 1/20 1.00
▸ ALOX15 P16050 1/20 1.00
▸ TBXA2R P21731 1/20 1.00
▸ ADRA1A P35348 1/20 1.00
▸ HIF1A Q16665 1/20 1.00
▸ NPC1 O15118 7/20 0.83
▸ RAB9A P51151 6/20 0.83
▸ MAPK1 P28482 3/20 0.73
▸ ALDH1A1 P00352 2/20 0.73
▸ CYP2D6 P10635 2/20 0.73
▸ PDE4A P27815 1/20 0.73

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
Dioxybenzone SCHEMBL6674075 1.00 LMNA (1.00) LMNACYP2C19HPGDCYP3A4CYP1A2
Dioxybenzone SCHEMBL29364693 1.00 LMNA (1.00) LMNACYP2C19HPGDCYP3A4CYP1A2
Dioxybenzone SCHEMBL29365575 1.00 LMNA (1.00) LMNACYP2C19HPGDCYP3A4CYP1A2
Dioxybenzone SCHEMBL15894 1.00 LMNA (1.00) LMNACYP2C19HPGDCYP3A4CYP1A2
Dioxybenzone SCHEMBL29354139 1.00 LMNA (1.00) LMNACYP2C19HPGDCYP3A4CYP1A2
Dioxybenzone SCHEMBL20641426 0.97 LMNA (0.94) LMNACYP2C19HPGDCYP3A4CYP1A2
Dioxybenzone SCHEMBL5011376 0.95 HPGD (0.91) LMNACYP2C19HPGDCYP3A4CYP1A2
Dioxybenzone SCHEMBL5161579 0.92 HPGD (0.88) LMNACYP2C19HPGDCYP3A4CYP1A2
Dioxybenzone SCHEMBL4923214 0.92 HPGD (0.88) LMNACYP2C19HPGDCYP3A4CYP1A2
Dioxybenzone SCHEMBL28167789 0.92 HPGD (0.85) LMNACYP2C19HPGDCYP3A4CYP1A2

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
CN-101229107-B Creme photoprotectrice a base d'acide gras OREAL 2013-06-19 — — CN claimed
US-6306502-B1 COMPOSITION COMPRISING ULTRAVIOLET-CURABLE SILICONE, MONOMER MIXTURE COMPRISING TRIS((METH)ACRYLOYLOXYALKYL)ISOCYANURATE AND URETHANE POLY(METH)ACRYLATE HAVING ALICYCLIC SKELETON, PHOTOPOLYMERIZATION INITIATOR MITSUBISHI RAYON CO., LTD. (JP) 2001-10-23 — — US disclosed
EP-0869154-A1 COATING COMPOSITION FORMING WEAR-RESISTANT COAT AND ARTICLE COVERED WITH THE COAT MITSUBISHI RAYON CO., LTD. (JP) 1998-10-07 — — EP disclosed
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