SCHEMBL23401259

SCHEMBL23401259

CC(C)Cc1[nH]n(C)c(=O)c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
ALOX15 P16050 1/20 0.40
KDM4E B2RXH2 7/20 0.39
ALDH1A1 P00352 3/20 0.39
DPP4 P27487 1/20 0.39
TP53 P04637 2/20 0.38
ALOX5 P09917 1/20 0.38
BCL2 P10415 1/20 0.35
MCL1 Q07820 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 1/20 0.35
CDK8 P49336 1/20 0.35
ACVR1 Q04771 1/20 0.35
SLC11A2 P49281 1/20 0.35
GRM2 Q14416 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL23399709 0.83 GAA (0.39) GAAALOX15KDM4EALDH1A1DPP4
SCHEMBL23402140 0.82 KDM4E (0.40) GAAALOX15KDM4EALDH1A1DPP4
SCHEMBL23398882 0.82 KDM4E (0.52) GAAALOX15KDM4EALDH1A1TP53
SCHEMBL23403626 0.82 GAA (0.59) GAAALOX15KDM4ELMNAKMT2A
SCHEMBL23398830 0.82 KDM4E (0.39) GAAALOX15KDM4EALDH1A1DPP4
SCHEMBL23400964 0.82 SMN1; SMN2 (0.45) GAAALOX15KDM4EALDH1A1DPP4
SCHEMBL23399185 0.81 LMNA (0.40) GAAALOX15KDM4EALDH1A1DPP4
SCHEMBL23399440 0.80 MEN1 (0.49) GAAALOX15KDM4EALDH1A1DPP4
SCHEMBL23403390 0.79 KDM4E (0.46) GAAALOX15KDM4EALDH1A1TP53
SCHEMBL23398482 0.76 GAA (0.42) GAAALOX15KDM4EALDH1A1DPP4

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