SCHEMBL23402017

SCHEMBL23402017

CCCn1ncc(O)c1CC

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
ESR1 P03372 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
DRD4 P21917 2/20 0.31
DRD2 P14416 1/20 0.31
GRIA4 P48058 1/20 0.31
SLC9A1 P19634 1/20 0.31
NR4A3 Q92570 1/20 0.30
TYR P14679 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
SCHEMBL23403446 0.89 ESR1 (0.36) POLBESR1SLC9A1TYR
SCHEMBL23403175 0.86 POLB (0.40) POLBESR1L3MBTL1ADORA2AADORA2B
SCHEMBL23400969 0.83 HTT (0.38) POLBESR1NR4A3
SCHEMBL23403406 0.83 POLB (0.38) POLBESR1L3MBTL1TYR
SCHEMBL23399067 0.82 POLB (0.37) POLBESR1L3MBTL1GRIA4
SCHEMBL23399649 0.79
SCHEMBL23402502 0.78 POLB (0.54) POLBESR1L3MBTL1ADORA2AADORA2B
SCHEMBL24231317 0.78 POLB (0.42) POLBL3MBTL1ADORA2AADORA2BDRD4
SCHEMBL23399070 0.77 HTR2A (0.36)
SCHEMBL1234673 0.76 POLB (0.38) POLBL3MBTL1ADORA2AADORA2BDRD4

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