SCHEMBL23399440

SCHEMBL23399440

CCCCn1[nH]c(CC(C)C)c(-c2ccccc2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 6/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DCTPP1 Q9H773 1/20 0.39
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ADORA2B P29275 1/20 0.37
DPP4 P27487 2/20 0.37
GAA P10253 3/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
ALOX15 P16050 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
SCHEMBL23402140 0.92 KDM4E (0.40) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL23399364 0.86 MEN1 (0.54) MEN1KMT2AALDH1A1KDM4EPDE4A
SCHEMBL23398830 0.86 KDM4E (0.39) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL23400105 0.85 MEN1 (0.52) MEN1KMT2AALDH1A1KDM4EPDE4A
SCHEMBL23398890 0.85 KDM4E (0.54) MEN1KMT2AALDH1A1KDM4EPDE4A
SCHEMBL23400964 0.83 SMN1; SMN2 (0.45) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL23400724 0.82 MEN1 (0.52) MEN1KMT2AALDH1A1KDM4EPDE4A
SCHEMBL23401259 0.80 GAA (0.40) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23401690 0.79 MEN1 (0.55) MEN1KMT2AALDH1A1KDM4EPDE4A
SCHEMBL23403316 0.79 MEN1 (0.55) MEN1KMT2AALDH1A1KDM4EPDE4A

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