SCHEMBL23399709

SCHEMBL23399709

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
ALOX15 P16050 1/20 0.39
DPP4 P27487 3/20 0.38
KDM4E B2RXH2 4/20 0.37
DAO P14920 1/20 0.35
BCL2 P10415 1/20 0.34
MCL1 Q07820 1/20 0.34
HTT P42858 3/20 0.34
MAT2A P31153 2/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC11A2 P49281 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 2/20 0.33
PSD A5PKW4 1/20 0.33
RCE1 Q9Y256 1/20 0.33

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
SCHEMBL23398653 0.86 KDM4E (0.49) GAAALOX15DPP4KDM4EHTT
SCHEMBL23401259 0.83 GAA (0.40) GAAALOX15DPP4KDM4EBCL2
SCHEMBL23403530 0.81 KDM4E (0.53) GAAALOX15KDM4EMAT2AALDH1A1
SCHEMBL23400964 0.81 SMN1; SMN2 (0.45) GAAALOX15DPP4KDM4EHTT
SCHEMBL23403626 0.81 GAA (0.59) GAAALOX15KDM4EHTTLMNA
SCHEMBL23398830 0.81 KDM4E (0.39) GAAALOX15DPP4KDM4EBCL2
SCHEMBL23399185 0.79 LMNA (0.40) GAAALOX15DPP4KDM4EBCL2
SCHEMBL23399746 0.78 GAA (0.58) GAAALOX15KDM4EHTTMAT2A
SCHEMBL23402957 0.78 MAT2A (0.46) GAAALOX15KDM4EHTTMAT2A
SCHEMBL23399113 0.76 GAA (0.41) GAAALOX15DPP4KDM4EHTT

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