SCHEMBL3134748

SCHEMBL3134748

CCCCCC(CC)Oc1ccccc1COc1cccc(-c2ccnnn2)c1OCc1ccccc1OC(CC)CCCCC

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 4/20 0.32
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30

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
SCHEMBL3737689 0.92 SGMS2 (0.34) SGMS2HTR1AADRA2AADRA2BADRA2C
SCHEMBL1697182 0.84 ADRA2A (0.33) ADRA2AADRA2BADRA2C
SCHEMBL28360867 0.83 CYP2D6 (0.40) HTR1AADRA2AADRA2BADRA2C
SCHEMBL28157161 0.82 TLR8 (0.35)
SCHEMBL16241390 0.81 SGMS2 (0.32) SGMS2
SCHEMBL404719 0.77 PPARG (0.31)
SCHEMBL2018228 0.77 MEN1 (0.32) ADRA2AADRA2BADRA2C
SCHEMBL5713157 0.76 PDE5A (0.40) SGMS2HTR1AADRA2A
SCHEMBL118831 0.76 TLR8 (0.36) HTR1A
SCHEMBL25315303 0.76 PPARG (0.31)

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
EP-2015727-B1 WATER RESISTANT SUNSCREEN FORMULATIONS WITH SULFOPOLYESTERS AND PHOSPHATE ESTER SURFACTANTS EASTMAN CHEM CO (US) 2010-01-06 EP disclosed
US-20070264216-A1 Water resistant sunscreen formulas with sulfopolyesters and phosphate ester surfactants EASTMAN CHEMICAL COMPANY 2007-11-15 US disclosed