SCHEMBL4854909

SCHEMBL4854909

C[C@@H]([C@H](C)O)[C@H](NCc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
SIGMAR1 Q99720 1/20 0.47
MME P08473 1/20 0.47
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.43
PSMB5 P28074 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEP1B Q16820 2/20 0.43
ACP3 P15309 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL14017328 1.00 ALDH1A1 (0.50) ALDH1A1SIGMAR1MMEKMT2APOLB
SCHEMBL27812225 1.00 ALDH1A1 (0.50) ALDH1A1SIGMAR1MMEKMT2APOLB
SCHEMBL4855809 1.00 ALDH1A1 (0.50) ALDH1A1SIGMAR1MMEKMT2APOLB
SCHEMBL2074599 0.90 ALDH1A1 (0.53) ALDH1A1SIGMAR1MMEKMT2APOLB
SCHEMBL7876545 0.90 ALDH1A1 (0.53) ALDH1A1SIGMAR1MMEKMT2APOLB
SCHEMBL31336702 0.90 ALDH1A1 (0.53) ALDH1A1SIGMAR1MMEKMT2APOLB
SCHEMBL7293707 0.90 ALDH1A1 (0.53) ALDH1A1SIGMAR1MMEKMT2APOLB
SCHEMBL7599136 0.90 ALDH1A1 (0.53) ALDH1A1SIGMAR1MMEKMT2APOLB
Hydrochloric Acid SCHEMBL28520370 0.88 ALDH1A1 (0.51) ALDH1A1SIGMAR1MMEKMT2APOLB
SCHEMBL8093317 0.84 ALDH1A1 (0.54) ALDH1A1SIGMAR1KMT2APOLBMEN1

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