SCHEMBL23401129

SCHEMBL23401129

CCCCn1nc(C)c(O)c1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.40
CNR2 P34972 13/20 0.40
NR1H3 Q13133 1/20 0.33
ESR1 P03372 2/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 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
SCHEMBL23398445 0.89 ADORA2A (0.41) CNR1CNR2ESR1ADORA2AADORA2B
SCHEMBL23402667 0.83 CNR1 (0.40) CNR1CNR2NR1H3ESR1
SCHEMBL23402197 0.82 ADORA2A (0.37) ADORA2AADORA2BLMNA
SCHEMBL23401445 0.81 CNR1 (0.39) CNR1CNR2ESR1KDM4EALDH1A1
SCHEMBL23399276 0.81 CNR1 (0.41) CNR1CNR2ESR1
SCHEMBL23402720 0.80 CNR1 (0.39) CNR1CNR2ESR1
SCHEMBL23399899 0.79 CNR1 (0.40) CNR1CNR2NR1H3ESR1
SCHEMBL23403354 0.79 CNR1 (0.40) CNR1CNR2NR1H3ESR1
SCHEMBL23402396 0.79 CNR1 (0.35) CNR1CNR2NR1H3ESR1ADORA2A
SCHEMBL27138911 0.79 CNR1 (0.38) CNR1CNR2ESR1

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