SCHEMBL23398482

SCHEMBL23398482

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
ALOX15 P16050 1/20 0.42
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 5/20 0.41
ALOX5 P09917 1/20 0.41
LMNA P02545 6/20 0.40
HTT P42858 4/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
MAPT P10636 3/20 0.38
KDM5B Q9UGL1 2/20 0.38
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CDK8 P49336 1/20 0.37
ACVR1 Q04771 1/20 0.37
SLC11A2 P49281 1/20 0.37
KDM6B O15054 1/20 0.36

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
SCHEMBL23401852 0.85 KDM5A (0.38) GAAALOX15KDM4EALDH1A1TP53
SCHEMBL23399113 0.81 GAA (0.41) GAAALOX15KDM4EALDH1A1TP53
SCHEMBL23400224 0.81 KDM4E (0.43) GAAALOX15KDM4EALDH1A1TP53
SCHEMBL23400181 0.80 GAA (0.64) GAAALOX15KDM4ELMNAHTT
SCHEMBL23401964 0.79 SMN1; SMN2 (0.47) GAAALOX15ALDH1A1TP53LMNA
SCHEMBL23400596 0.79 LMNA (0.43) GAAALOX15KDM4EALDH1A1TP53
SCHEMBL23400724 0.79 MEN1 (0.52) GAAALOX15KDM4EALDH1A1HSD17B10
SCHEMBL23398840 0.77 GAA (0.64) GAAALOX15KDM4EALDH1A1TP53
SCHEMBL23403609 0.77 KDM4E (0.57) GAAALOX15KDM4EALDH1A1TP53
SCHEMBL23401259 0.76 GAA (0.40) GAAALOX15KDM4EALDH1A1TP53

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