SCHEMBL8633106

SCHEMBL8633106

CC[C@@H](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[C@H](CN)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 3/20 0.37
SLC1A2 P43004 3/20 0.37
SLC1A1 P43005 3/20 0.37
ACE P12821 1/20 0.37
SRR Q9GZT4 2/20 0.34
ALPI P09923 1/20 0.33
PKM P14618 1/20 0.33
PTGS1 P23219 1/20 0.33
XIAP P98170 1/20 0.33
SLC7A5 Q01650 1/20 0.33
PPARG P37231 2/20 0.32
POLB P06746 2/20 0.32
PPARA Q07869 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL8430109 0.82 SLC1A3 (0.36) SLC1A3SLC1A2SLC1A1ACESRR
SCHEMBL8633102 0.72 KMT2A (0.48) PTGS1POLBALDH1A1HSD17B10L3MBTL1
SCHEMBL8631333 0.71
SCHEMBL4983264 0.69 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1ACESRR
SCHEMBL8633109 0.68 TAAR1 (0.37) ALDH1A1LMNAL3MBTL1MEN1KMT2A
SCHEMBL4275381 0.67 MAPT (0.35) ALDH1A1LMNAL3MBTL1TSHR
SCHEMBL22765046 0.66 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1ACESRR
SCHEMBL20875949 0.65 CYP2D6 (0.61) SLC1A3SLC1A2SLC1A1LMNAKMT2A
SCHEMBL20875915 0.65 SLC1A1 (0.67) SLC1A3SLC1A2SLC1A1SRRALPI
SCHEMBL4986173 0.65 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1ACESRR

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-5712388-A Method of preparing a derivative of optically active azetidin-2-one TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-01-27 US disclosed