SCHEMBL23398463

SCHEMBL23398463

CCCCn1nc(O)cc1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.48
CNR2 P34972 9/20 0.48
ESR1 P03372 2/20 0.38
NR1H3 Q13133 1/20 0.36
HCAR3 P49019 1/20 0.35
SMPD1 P17405 1/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
MPO P05164 2/20 0.33

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
SCHEMBL23399207 0.89 CNR1 (0.41) CNR1CNR2ESR1HCAR3ALDH1A1
SCHEMBL23399834 0.82 CNR1 (0.34) CNR1CNR2ESR1HCAR3LMNA
SCHEMBL23399147 0.77 ESR1 (0.36) CNR1CNR2ESR1NR1H3HCAR3
SCHEMBL23402366 0.77 APAF1 (0.34) CNR1CNR2LMNASMN1; SMN2
SCHEMBL23403285 0.77 KDM4E (0.45) CNR1CNR2ESR1NR1H3HCAR3
SCHEMBL22667108 0.76 CNR1 (0.51) CNR1CNR2NR1H3SMPD1LMNA
SCHEMBL23403078 0.75 ESR1 (0.39) CNR1CNR2ESR1NR1H3HCAR3
SCHEMBL23401425 0.75 ESR1 (0.39) CNR1CNR2ESR1NR1H3HCAR3
SCHEMBL23403308 0.74 ESR1 (0.38) CNR1CNR2ESR1NR1H3HCAR3
SCHEMBL23403019 0.74 ESR1 (0.38) CNR1CNR2ESR1NR1H3HCAR3

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