SCHEMBL23399554

SCHEMBL23399554

CCCCn1[nH]c(C(C)C)cc1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.39
RORA P35398 1/20 0.34
RORC P51449 1/20 0.34
RORB Q92753 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
ABL1 P00519 2/20 0.33
RIN1 Q13671 2/20 0.33
GAA P10253 2/20 0.33
KAT2B Q92831 1/20 0.33
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
TYR P14679 1/20 0.32
DAO P14920 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
SCHEMBL23399854 0.89 MEN1 (0.41) MEN1KMT2AL3MBTL1GAAALDH1A1
SCHEMBL23403607 0.82 DAO (0.35) MEN1KMT2AGAAALDH1A1DAO
SCHEMBL23403689 0.77 MEN1 (0.50) MEN1KMT2AL3MBTL1RORARORC
SCHEMBL23399151 0.77 ALDH1A1 (0.35) MEN1KMT2AL3MBTL1TDP1TSHR
SCHEMBL11782320 0.77 L3MBTL1 (0.61) MEN1KMT2AL3MBTL1PDE4APDE4B
SCHEMBL23398798 0.75 MEN1 (0.55) MEN1KMT2AL3MBTL1PDE4APDE4B
SCHEMBL23403551 0.74 KMT2A (0.54) MEN1KMT2AL3MBTL1PDE4APDE4B
SCHEMBL23400701 0.74 KMT2A (0.54) MEN1KMT2AL3MBTL1PDE4APDE4B
SCHEMBL23399063 0.72 MEN1 (0.53) MEN1KMT2AL3MBTL1RORARORC
SCHEMBL383463 0.71 L3MBTL1 (0.59) MEN1KMT2AL3MBTL1GAAKAT2B

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