SCHEMBL23398585

SCHEMBL23398585

CCCCc1c(-c2ccccc2C)nn(CC(C)C)c1O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.36
TLR8 Q9NR97 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
ESR1 P03372 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
CNR2 P34972 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL23399145 0.94 GCGR (0.34) GCGRTLR8MAPTKDM4ELMNA
SCHEMBL23402074 0.88 KDM5A (0.34) SMN1; SMN2MAPTKDM4ELMNAHPGD
SCHEMBL23400865 0.87 TLR8 (0.38) GCGRTLR8SMN1; SMN2MAPTKDM4E
SCHEMBL23401357 0.86 ESR1 (0.40) TLR8MAPTKDM4EALDH1A1LMNA
SCHEMBL23401012 0.86 ESR1 (0.42) TLR8SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL23401610 0.86 GABRA1 (0.33) SMN1; SMN2MAPTKDM4EHPGDGABRA1
SCHEMBL23399727 0.85 MEN1 (0.40) GCGRMAPTESR1PTGDR2
SCHEMBL23399196 0.83 GCGR (0.38) GCGRTLR8SMN1; SMN2MAPTKDM4E
SCHEMBL23399093 0.82 ESR1 (0.39) TLR8MAPTKDM4EALDH1A1LMNA
SCHEMBL23402212 0.81 GABRA1 (0.38) SMN1; SMN2MAPTKDM4EALDH1A1LMNA

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