SCHEMBL1697182

SCHEMBL1697182

CCCCCC(CC)Oc1ccccc1-c1ccnnn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.33
ADRA2B P18089 5/20 0.33
ADRA2C P18825 5/20 0.33
MCHR1 Q99705 1/20 0.33
TLR8 Q9NR97 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PDE5A O76074 2/20 0.31
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 0.31
MAOA P21397 3/20 0.30
MAOB P27338 3/20 0.30
NISCH Q9Y2I1 1/20 0.30
TLR4 O00206 1/20 0.30
TLR3 O15455 1/20 0.30
TLR5 O60602 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
SCHEMBL404719 0.92 PPARG (0.31) PPARG
SCHEMBL28157161 0.89 TLR8 (0.35) MCHR1TLR8
SCHEMBL3737689 0.89 SGMS2 (0.34) ADRA2AADRA2BADRA2CTLR8CYP1A2
SCHEMBL118831 0.88 TLR8 (0.36) TLR8CYP1A2CYP2C9CYP2C19
SCHEMBL25315303 0.88 PPARG (0.31) PPARG
SCHEMBL2018228 0.88 MEN1 (0.32) ADRA2AADRA2BADRA2CCYP1A2CYP19A1
SCHEMBL28561775 0.87 CNR1 (0.31) TLR8CYP1A2CYP2C19
SCHEMBL3134748 0.84 SGMS2 (0.32) ADRA2AADRA2BADRA2C
SCHEMBL21525742 0.82 PPARG (0.31) PPARG
SCHEMBL2709506 0.79 ALDH1A1 (0.35) MCHR1TLR8PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2575750-A2 SUNSCREEN COMPOSITIONS CONTAINING HYDROLYZED JOJOBA ESTERS FOR IMPROVED WATER RESISTANCE International Flora Technologies, Ltd. (US) 2013-04-10 EP claimed
WO-2011149929-A2 SUNSCREEN COMPOSITIONS CONTAINING HYDROLYZED JOJOBA ESTERS FOR IMPROVED WATER RESISTANCE INTERNATIONAL FLORA TECHNOLOGIES LTD. (US) 2011-12-01 WO claimed
EP-3079777-A1 EMULSION COMPOSITIONS AND APPLICATIONS THEREFOR Momentive Performance Materials Inc. (US) 2016-10-19 EP disclosed
WO-2015089035-A1 EMULSION COMPOSITIONS AND APPLICATIONS THEREFOR MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2015-06-18 WO disclosed
EP-2575750-A2 SUNSCREEN COMPOSITIONS CONTAINING HYDROLYZED JOJOBA ESTERS FOR IMPROVED WATER RESISTANCE International Flora Technologies, Ltd. (US) 2013-04-10 EP disclosed
WO-2011149929-A2 SUNSCREEN COMPOSITIONS CONTAINING HYDROLYZED JOJOBA ESTERS FOR IMPROVED WATER RESISTANCE INTERNATIONAL FLORA TECHNOLOGIES LTD. (US) 2011-12-01 WO disclosed