SCHEMBL23401463

SCHEMBL23401463

CCCc1c(C)c(O)nn1CCC

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
GRIA4 P48058 1/20 0.33
ESR1 P03372 1/20 0.31
POLB P06746 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
SCHEMBL23399508 0.89 ADORA2A (0.33) ADORA2AADORA2BGRIA4ESR1POLB
SCHEMBL23401236 0.89 NR1H3 (0.34) ESR1POLB
SCHEMBL23399121 0.86 ADORA2A (0.35) ADORA2AADORA2BGRIA4ESR1POLB
SCHEMBL23402538 0.86 ADORA2A (0.32) ADORA2AADORA2B
SCHEMBL23402084 0.81 NR1H3 (0.34) ESR1POLB
SCHEMBL23401791 0.81 GRIA4 (0.33) ADORA2AADORA2BGRIA4ESR1
SCHEMBL23398593 0.80 GRIA4 (0.37) ADORA2AADORA2BGRIA4
SCHEMBL23398464 0.80 TKT (0.31) POLB
SCHEMBL23403211 0.78 ADORA2A (0.43) ADORA2AADORA2BGRIA4ESR1POLB
SCHEMBL23403490 0.78 ADORA2A (0.37) ADORA2AADORA2BGRIA4ESR1POLB

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