SCHEMBL23399112

SCHEMBL23399112

CCCn1[nH]c(-c2ccccc2C)c(CC)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM5A P29375 1/20 0.38
BRD4 O60885 1/20 0.38
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HPGD P15428 1/20 0.34
DAO P14920 1/20 0.33
PTPN1 P18031 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
GAA P10253 1/20 0.33
CASR P41180 1/20 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
SCHEMBL23398957 0.92 PDE4A (0.44) KDM4EHSD17B10KDM5ABRD4PDE4A
SCHEMBL23400962 0.90 CYBB (0.39) KDM4EHSD17B10KDM5ABRD4PDE4A
SCHEMBL23401103 0.89 PDE4A (0.39) KDM4EHSD17B10BRD4PDE4APDE4B
SCHEMBL23401162 0.88 KDM4E (0.44) KDM4EHSD17B10KDM5ABRD4ALDH1A1
SCHEMBL23401252 0.87 MAPT (0.36) KDM4EHSD17B10KDM5ABRD4PDE4A
SCHEMBL23403409 0.85 BRD4 (0.40) KDM4EHSD17B10BRD4PDE4APDE4B
SCHEMBL23398478 0.84 KDM4E (0.45) KDM4EHSD17B10KDM5ABRD4ALDH1A1
SCHEMBL23402587 0.83 PDE4A (0.44) KDM4EHSD17B10BRD4PDE4APDE4B
SCHEMBL23399949 0.83 ALDH1A1 (0.48) KDM4EHSD17B10KDM5ABRD4ALDH1A1
SCHEMBL23403623 0.82 PDE4A (0.43) KDM4EHSD17B10BRD4PDE4APDE4B

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