SCHEMBL23401045

SCHEMBL23401045

CCCCn1[nH]cc(CC(C)C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDE4A P27815 5/20 0.33
PDE4B Q07343 5/20 0.33
PDE4C Q08493 5/20 0.33
PDE4D Q08499 5/20 0.33
RGS4 P49798 1/20 0.33
RGS8 P57771 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
RECQL P46063 2/20 0.31
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
MITF O75030 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL23398383 0.90 ALDH1A1 (0.49) ALDH1A1KDM5A
SCHEMBL23402237 0.84 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL23400475 0.83 ALDH1A1 (0.33) ALDH1A1KDM5A
SCHEMBL23402899 0.81 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL23402822 0.81 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL23399233 0.80 SMN1; SMN2 (0.34) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL9837528 0.77 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATDP1CYP1A2
SCHEMBL23400515 0.77 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL23400488 0.75 GABRA1 (0.36) ALDH1A1KDM5A
SCHEMBL23398390 0.75 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ATDP1L3MBTL1

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