SCHEMBL23401671

SCHEMBL23401671

CCn1[nH]c(C)c(-c2ccccc2)c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.58
ALOX15 P16050 1/20 0.58
KDM4E B2RXH2 9/20 0.50
SLC11A2 P49281 4/20 0.50
MAPT P10636 5/20 0.49
HTT P42858 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 3/20 0.48
DCTPP1 Q9H773 2/20 0.46
HSD17B10 Q99714 3/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAT2A P31153 1/20 0.43
RCE1 Q9Y256 1/20 0.43
KDM5A P29375 1/20 0.43
KDM2B Q8NHM5 1/20 0.43

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
SCHEMBL23398804 0.87 GAA (0.55) GAAALOX15KDM4ESLC11A2MAPT
SCHEMBL23400783 0.86 KDM4E (0.44) GAAALOX15KDM4ESLC11A2MAPT
SCHEMBL23403316 0.84 MEN1 (0.55) GAAALOX15KDM4ESLC11A2MAPT
SCHEMBL23398953 0.83 MAT2A (0.46) GAAALOX15KDM4EHTTMEN1
SCHEMBL23402393 0.82 GAA (0.54) GAAALOX15KDM4ESLC11A2MAPT
SCHEMBL23401938 0.80 ALKBH3 (0.45) GAAALOX15KDM4ESLC11A2MAPT
SCHEMBL23402118 0.80 ALKBH3 (0.45) GAAALOX15KDM4ESLC11A2MAPT
SCHEMBL23403611 0.79 GAA (0.40) GAAALOX15KDM4ESLC11A2MAPT
SCHEMBL11615692 0.79 MAPT (0.58) GAAALOX15KDM4ESLC11A2MAPT
SCHEMBL11615177 0.77 SLC11A2 (0.49) GAAALOX15KDM4ESLC11A2MAPT

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