SCHEMBL14520177

SCHEMBL14520177

CC1(C)CC(N(C(=O)CCCC(=O)O)C(=O)CCCC(=O)O)CC(C)(C)N1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
ALOX15 P16050 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.35
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 2/20 0.32
LMNA P02545 2/20 0.31
POLB P06746 1/20 0.31
AKR1B1 P15121 1/20 0.31
KDM5A P29375 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
NFKB1 P19838 1/20 0.30
PMP22 Q01453 1/20 0.30

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
SCHEMBL14520171 0.90 ALOX15 (0.38) GAAALOX15HTTKDM4EKMT2A
Glutarate SCHEMBL11605405 0.78 SLC22A6 (0.42) GAAALOX15SLC22A6HTTKDM4E
Adipic Acid SCHEMBL15633992 0.75 LMNA (0.44) GAAALOX15SLC22A6HTTKMT2A
SCHEMBL11404858 0.75 GAA (0.39) GAAALOX15HTTKDM4EKMT2A
SCHEMBL9354706 0.75 GAA (0.36) GAAALOX15HTTKDM4EKMT2A
Adipic Acid SCHEMBL11606959 0.74 LMNA (0.42) GAAALOX15SLC22A6HTTKMT2A
SCHEMBL8531737 0.73 GAA (0.35) GAAALOX15HTTKDM4EKMT2A
Sebacic Acid SCHEMBL3697622 0.73 TSHR (0.44) GAAALOX15SLC22A6KMT2ATSHR
Sebacic Acid SCHEMBL10624623 0.73 TSHR (0.44) GAAALOX15SLC22A6KMT2ATSHR
SCHEMBL2547053 0.73 GAA (0.46) GAASLC22A6HTTKDM4EKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208640-B2 Process for isolating highly pure 2-methoxypropene DEGUSSA AG (DE) 2007-04-24 US disclosed
US-7208640-B2 Process for isolating highly pure 2-methoxypropene DEGUSSA AG (DE) 2007-04-24 US disclosed