SCHEMBL4845830

SCHEMBL4845830

C[C@H](OC1CCCCO1)[C@H](C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SLC6A3 Q01959 2/20 0.35
PTGER4 P35408 1/20 0.32
HPGD P15428 2/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GAA P10253 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
SCHEMBL21896419 1.00 MEN1 (0.35) MEN1KMT2ASLC6A3PTGER4HPGD
SCHEMBL9149904 1.00 MEN1 (0.35) MEN1KMT2ASLC6A3PTGER4HPGD
SCHEMBL18600852 0.87 MEN1 (0.35) MEN1KMT2ASLC6A3PTGER4HPGD
SCHEMBL23598081 0.84 SLC1A3 (0.36) MEN1KMT2ASLC6A3PTGER4HPGD
SCHEMBL29273102 0.84 SLC6A3 (0.42) MEN1KMT2ASLC6A3PTGER4HPGD
SCHEMBL4300724 0.83 MEN1 (0.37) MEN1KMT2ASLC6A3PTGER4HPGD
SCHEMBL9044354 0.83 MEN1 (0.37) MEN1KMT2ASLC6A3PTGER4HPGD
SCHEMBL9213202 0.83 MEN1 (0.37) MEN1KMT2ASLC6A3PTGER4HPGD
SCHEMBL4300716 0.83 MEN1 (0.37) MEN1KMT2ASLC6A3PTGER4HPGD
SCHEMBL4300719 0.83 MEN1 (0.37) MEN1KMT2ASLC6A3PTGER4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432087-B2 Method for preparing (2S, 3R, 4S)-4-hydroxyisoleucine and analogues thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFQUE (FR) 2008-10-07 US disclosed
EP-1268397-B1 METHOD FOR PREPARING (2S,3R,4S)-4-HYDROXYISOLEUCINE AND ANALOGUES THEREOF CENTRE NAT RECH SCIENT (FR) 2007-12-05 EP disclosed
US-20050079587-A1 Method for preparing (2S, 3R, 4S) -4-hydroxyisoleucine and analogues thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE 2005-04-14 US disclosed
US-20030219880-A1 Method for preparing (2s,3r,4s)-4-hydroxyisoleucine and analogues thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2003-11-27 US disclosed
EP-1268397-A2 METHOD FOR PREPARING (2S,3R,4S)-4-HYDROXYISOLEUCINE AND ANALOGUES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2003-01-02 EP disclosed
WO-2001072688-A2 METHOD FOR PREPARING (2S,3R,4S)-4-HYDROXYISOLEUCINE AND ANALOGUES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2001-10-04 WO disclosed