SCHEMBL12993137

SCHEMBL12993137

CCOC(=O)[C@@H]1CCCCC1N[C@H](C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 2/20 0.46
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
SLC6A2 P23975 3/20 0.44
SLC6A3 Q01959 3/20 0.44
SLC6A4 P31645 2/20 0.44
F9 P00740 1/20 0.44
F10 P00742 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44

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
SCHEMBL990514 1.00 GAA (0.48) GAAL3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL10169783 1.00 GAA (0.48) GAAL3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL10137639 1.00 GAA (0.48) GAAL3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL13137377 1.00 GAA (0.48) GAAL3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL27857174 1.00 GAA (0.48) GAAL3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL6872366 1.00 GAA (0.48) GAAL3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL990512 1.00 GAA (0.48) GAAL3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL14341272 0.97 ALDH1A1 (0.47) GAAL3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL14341281 0.97 ALDH1A1 (0.47) GAAL3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL21104774 0.97 ALDH1A1 (0.47) GAAL3MBTL1ALDH1A1HPGDSMN1; SMN2

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
US-7858737-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-12-28 US disclosed