SCHEMBL23398783

SCHEMBL23398783

CC(C)Cn1nc(O)cc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.47
CNR2 P34972 2/20 0.43
SLC16A3 O15427 2/20 0.43
SLC16A1 P53985 1/20 0.43
TRPV1 Q8NER1 3/20 0.41
CNR1 P21554 1/20 0.41
MAPT P10636 3/20 0.37
POLB P06746 1/20 0.36
SMPD1 P17405 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC5A1 P13866 1/20 0.35
APLNR P35414 1/20 0.35

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
SCHEMBL23399351 0.86 NR1H2 (0.43) NR1H2CNR2SLC16A3SLC16A1MAPT
SCHEMBL23401693 0.85 NR1H2 (0.43) NR1H2SLC16A3SLC16A1TRPV1SLC5A1
SCHEMBL17259318 0.83 PTGS2 (0.48) NR1H2CNR2SLC16A3SLC16A1TRPV1
SCHEMBL11539783 0.82 NR1H2 (0.48) NR1H2CNR2SLC16A3SLC16A1TRPV1
SCHEMBL5325277 0.82 NPC1 (0.51) NR1H2CNR2SLC16A3SLC16A1TRPV1
SCHEMBL23403521 0.81 SMPD1 (0.41) NR1H2CNR2SLC16A3CNR1MAPT
SCHEMBL5325270 0.81 NR1H2 (0.47) NR1H2CNR2SLC16A3SLC16A1TRPV1
SCHEMBL23400178 0.80 HPGD (0.35) NR1H2SLC16A3SLC16A1MAPTNPC1
SCHEMBL17259213 0.79 NR1H2 (0.46) NR1H2CNR2SLC16A3SLC16A1TRPV1
SCHEMBL23400225 0.79 SMPD1 (0.48) CNR2SLC16A3CNR1MAPTSMPD1

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