SCHEMBL23399113

SCHEMBL23399113

CC(C)c1[nH]n(C(C)C)c(=O)c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
ALOX15 P16050 1/20 0.41
LMNA P02545 6/20 0.39
HTT P42858 4/20 0.39
HSD17B10 Q99714 3/20 0.39
TP53 P04637 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 4/20 0.36
KDM4E B2RXH2 5/20 0.36
SLC11A2 P49281 2/20 0.36
MAT2A P31153 4/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
DCTPP1 Q9H773 1/20 0.35
DPP4 P27487 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM5B Q9UGL1 1/20 0.34

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
SCHEMBL23402957 0.81 MAT2A (0.46) GAAALOX15HTTHSD17B10HPGD
SCHEMBL23399746 0.81 GAA (0.58) GAAALOX15LMNAHTTHSD17B10
SCHEMBL23398482 0.81 GAA (0.42) GAAALOX15LMNAHTTHSD17B10
SCHEMBL23400181 0.79 GAA (0.64) GAAALOX15LMNAHTTHSD17B10
SCHEMBL23403602 0.78 GAA (0.40) GAAALOX15LMNAHTTHSD17B10
SCHEMBL23400596 0.78 LMNA (0.43) GAAALOX15LMNAHTTHSD17B10
SCHEMBL23401964 0.78 SMN1; SMN2 (0.47) GAAALOX15LMNAHTTHSD17B10
SCHEMBL23398653 0.78 KDM4E (0.49) GAAALOX15LMNAHTTHSD17B10
SCHEMBL23399709 0.76 GAA (0.39) GAAALOX15LMNAHTTHSD17B10
SCHEMBL23401861 0.75 ALKBH3 (0.42) GAAALOX15LMNAHTTHSD17B10

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