SCHEMBL23398798

SCHEMBL23398798

CCCCn1[nH]c(CC)cc1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.41
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
KAT2B Q92831 1/20 0.34
DAO P14920 2/20 0.33
RAD51 Q06609 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
TYR P14679 1/20 0.33
CNR1 P21554 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
MGLL Q99685 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL23399589 0.89 MEN1 (0.42) MEN1KMT2AL3MBTL1DAORAD51
SCHEMBL23403551 0.87 KMT2A (0.54) MEN1KMT2AL3MBTL1PDE4APDE4B
SCHEMBL23400701 0.87 KMT2A (0.54) MEN1KMT2AL3MBTL1PDE4APDE4B
SCHEMBL23403689 0.83 MEN1 (0.50) MEN1KMT2AL3MBTL1PDE4APDE4B
SCHEMBL23401204 0.80 KMT2A (0.46) MEN1KMT2AL3MBTL1DAOALDH1A1
SCHEMBL11782320 0.79 L3MBTL1 (0.61) MEN1KMT2AL3MBTL1PDE4APDE4B
SCHEMBL8069400 0.77 MEN1 (0.44) MEN1KMT2AL3MBTL1KAT2BALDH1A1
SCHEMBL23399923 0.76 ALDH1A1 (0.35) MEN1KMT2AL3MBTL1DAORAD51
SCHEMBL23399063 0.75 MEN1 (0.53) MEN1KMT2AL3MBTL1PDE4APDE4B
SCHEMBL23399554 0.75 MEN1 (0.53) MEN1KMT2AL3MBTL1PDE4APDE4B

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