SCHEMBL2018228

SCHEMBL2018228

CCCCCC(CC)Oc1ccccc1O.CCOc1ccccc1-c1ccnnn1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
PPARG P37231 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPK14 Q16539 1/20 0.31
PDE5A O76074 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL118831 0.91 TLR8 (0.36) MEN1POLBKMT2ACYP1A2CYP2C9
SCHEMBL1697182 0.88 ADRA2A (0.33) ADRA2AADRA2BADRA2CPPARGCYP1A2
SCHEMBL3737689 0.84 SGMS2 (0.34) ADRA2AADRA2BADRA2CPPARGCYP1A2
SCHEMBL404719 0.83 PPARG (0.31) PPARG
SCHEMBL25315303 0.83 PPARG (0.31) PPARG
SCHEMBL17294435 0.81 HTR1A (0.34) PPARGCYP1A2CYP2C9CYP2C19PDE4D
SCHEMBL1276209 0.79 CNR1 (0.36) MEN1POLBKMT2ACYP1A2CYP19A1
SCHEMBL14764267 0.79 HTR1A (0.31)
SCHEMBL28157161 0.78 TLR8 (0.35)
SCHEMBL12489287 0.78 PDE5A (0.43) MEN1KMT2APPARGPDE5A

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
EP-3675808-A1 WATER BASED CONCENTRATED PRODUCT FORMS OF OIL-SOLUBLE ORGANIC UV ABSORBERS BASF SE (DE) 2020-07-08 EP disclosed
WO-2019042999-A1 WATER BASED CONCENTRATED PRODUCT FORMS OF OIL-SOLUBLE ORGANIC UV ABSORBERS BASF SE (DE) 2019-03-07 WO disclosed
WO-2011074141-A1 PROCESS FOR TREATING KERATIN FIBERS L'OREAL (FR) 2011-06-23 WO disclosed