SCHEMBL23398804

SCHEMBL23398804

CCCn1[nH]c(C)c(-c2ccccc2)c1=O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.55
ALOX15 P16050 1/20 0.55
KDM4E B2RXH2 10/20 0.48
SLC11A2 P49281 4/20 0.48
DCTPP1 Q9H773 2/20 0.47
MAPT P10636 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HTT P42858 4/20 0.47
LMNA P02545 2/20 0.46
HSD17B10 Q99714 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL23403316 0.91 MEN1 (0.55) GAAALOX15KDM4ESLC11A2DCTPP1
SCHEMBL23400487 0.87 KDM4E (0.42) GAAALOX15KDM4ESLC11A2DCTPP1
SCHEMBL23401671 0.87 GAA (0.58) GAAALOX15KDM4ESLC11A2DCTPP1
SCHEMBL23401629 0.84 KDM4E (0.44) GAAALOX15KDM4EDCTPP1MEN1
SCHEMBL23400446 0.83 KDM4E (0.49) GAAALOX15KDM4EDCTPP1MAPT
SCHEMBL23398888 0.81 KDM4E (0.44) GAAALOX15KDM4EDCTPP1MEN1
SCHEMBL23400224 0.81 KDM4E (0.43) GAAALOX15KDM4EDCTPP1MAPT
SCHEMBL23401574 0.81 ALKBH3 (0.44) GAAALOX15KDM4ESLC11A2DCTPP1
SCHEMBL11618207 0.81 GAA (0.49) GAAALOX15KDM4ESLC11A2MAPT
SCHEMBL23400709 0.80 KDM4E (0.45) GAAALOX15KDM4EDCTPP1MAPT

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