SCHEMBL23402452

SCHEMBL23402452

CCc1[nH]n(-c2ccccc2C)c(=O)c1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO1 P00395 1/20 0.41
MT-CO2 P00403 1/20 0.41
ELANE P08246 1/20 0.41
NOX4 Q9NPH5 1/20 0.39
MGLL Q99685 1/20 0.39
MAPT P10636 4/20 0.38
GAA P10253 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX5 P09917 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MPL P40238 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL23400059 0.90 KDM4E (0.41) MT-CO1MT-CO2ELANENOX4MGLL
SCHEMBL23401277 0.90 KDM4E (0.39) MT-CO1MT-CO2ELANENOX4MGLL
SCHEMBL23400561 0.88 MT-CO1 (0.38) MT-CO1MT-CO2ELANENOX4MGLL
SCHEMBL23402238 0.87 ELANE (0.36) MT-CO1MT-CO2ELANENOX4MGLL
SCHEMBL23402076 0.87 KDM4E (0.39) ELANENOX4MGLLMAPTGAA
SCHEMBL23399348 0.87 MT-CO1 (0.37) MT-CO1MT-CO2ELANENOX4MGLL
SCHEMBL23401088 0.86 NOX4 (0.42) MT-CO1MT-CO2ELANENOX4MGLL
SCHEMBL23400671 0.86 ALDH1A1 (0.50) MT-CO1MT-CO2ELANENOX4MGLL
SCHEMBL23402405 0.82 KDM4E (0.42) ELANENOX4MGLLMAPTGAA
SCHEMBL23398574 0.81 ELANE (0.38) MT-CO1MT-CO2ELANENOX4MGLL

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