SCHEMBL23399998

SCHEMBL23399998

CC(C)Cc1cc(O)n(CC(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
TLR7 Q9NYK1 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
PARP1 P09874 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
APAF1 O14727 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ESR1 P03372 1/20 0.31

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
SCHEMBL23399756 0.85 GABRA1 (0.35) GABRA1GABRB2TLR7NOS3NOS1
SCHEMBL23400860 0.85 HTR2A (0.32) HTR2AHTR2CSLC6A4KDM4EMEN1
SCHEMBL23402391 0.81 ADORA2A (0.36) GABRA1GABRB2TLR7NOS3NOS1
SCHEMBL23399571 0.81 HDAC3 (0.33) NOS3NOS1NOS2HTR2AHTR2C
SCHEMBL23403189 0.80 NR1H2 (0.38) GABRA1HTR2AHTR2CSLC6A4KDM4E
SCHEMBL23401680 0.79 ESR1 (0.37) GABRA1GABRB2TLR7NOS3NOS1
SCHEMBL23403051 0.79 TLR7 (0.35) TLR7NOS2KDM4ELMNAPOLB
SCHEMBL23400805 0.78 GABRA1 (0.36) GABRA1GABRB2TLR7NOS3NOS1
SCHEMBL23398583 0.78 LMNA (0.46) KDM4EMEN1MAPTTHRBKMT2A
SCHEMBL23401703 0.77 GABRA1 (0.35) GABRA1GABRB2TLR7NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed