SCHEMBL23403175

SCHEMBL23403175

CCCc1c(O)cnn1CCC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
ESR1 P03372 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
DRD4 P21917 2/20 0.31
DRD2 P14416 1/20 0.31
GRIA4 P48058 1/20 0.30
SLC9A1 P19634 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
SCHEMBL23399858 0.89 ESR1 (0.35) POLBESR1SLC9A1
SCHEMBL23403406 0.89 POLB (0.38) POLBESR1L3MBTL1
SCHEMBL23402017 0.86 POLB (0.41) POLBESR1L3MBTL1ADORA2AADORA2B
SCHEMBL23401830 0.86 HTT (0.36) POLB
SCHEMBL23399780 0.81 NPC1 (0.36) POLBESR1SLC9A1
SCHEMBL23399067 0.80 POLB (0.37) POLBESR1L3MBTL1GRIA4
SCHEMBL23403021 0.80 MAPK14 (0.41)
SCHEMBL23398628 0.80 CYP11B2 (0.33) L3MBTL1
SCHEMBL23402502 0.76 POLB (0.54) POLBESR1L3MBTL1PDE1APDE1B
SCHEMBL23403446 0.76 ESR1 (0.36) POLBESR1SLC9A1

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