SCHEMBL23398653

SCHEMBL23398653

CCc1[nH]n(C(C)C)c(=O)c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
MAT2A P31153 4/20 0.40
GAA P10253 3/20 0.40
ALOX15 P16050 1/20 0.40
TP53 P04637 3/20 0.37
RCE1 Q9Y256 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 4/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36
DCTPP1 Q9H773 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
DPP4 P27487 1/20 0.36
SLC11A2 P49281 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 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
SCHEMBL23400341 0.86 KDM4E (0.37) KDM4EGAAALOX15TP53HTT
SCHEMBL23399709 0.86 GAA (0.39) KDM4EMAT2AGAAALOX15TP53
SCHEMBL23403530 0.85 KDM4E (0.53) KDM4EMAT2AGAAALOX15MAPT
SCHEMBL11452104 0.81 KDM4E (0.42) KDM4EMAT2AGAAALOX15LMNA
SCHEMBL23403154 0.79 KDM4E (0.47) KDM4EMAT2AGAAALOX15RCE1
SCHEMBL23399746 0.79 GAA (0.58) KDM4EMAT2AGAAALOX15TP53
SCHEMBL23398882 0.79 KDM4E (0.52) KDM4EMAT2AGAAALOX15TP53
SCHEMBL23402957 0.79 MAT2A (0.46) KDM4EMAT2AGAAALOX15HTT
SCHEMBL23399113 0.78 GAA (0.41) KDM4EMAT2AGAAALOX15TP53
SCHEMBL23403225 0.76 GAA (0.64) KDM4EGAAALOX15L3MBTL1HTT

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