SCHEMBL4855769

SCHEMBL4855769

[CH2]c1ccccc1C(C)NC(=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
CETP P11597 1/20 0.36
CNR1 P21554 1/20 0.35
GAA P10253 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL20587889 0.81 ACACB (0.43) HTTL3MBTL1
SCHEMBL19319086 0.80 ALDH1A1 (0.48) POLBMAPK1HTTKDM4EALDH1A1
SCHEMBL19319111 0.80 ALDH1A1 (0.48) POLBMAPK1HTTKDM4EALDH1A1
SCHEMBL19319108 0.80 ALDH1A1 (0.48) POLBMAPK1HTTKDM4EALDH1A1
SCHEMBL4599401 0.76 ALDH1A1 (0.39) POLBMAPK1HTTNPSR1SMN1; SMN2
SCHEMBL2901261 0.76 TSHR (0.45) POLBNPSR1KDM4EALDH1A1MEN1
SCHEMBL2903965 0.75 HSD17B10 (0.56) POLBHTTSMN1; SMN2KDM4EALDH1A1
SCHEMBL4270022 0.75 HSD17B10 (0.56) POLBHTTSMN1; SMN2KDM4EALDH1A1
SCHEMBL19318570 0.75 HSD17B10 (0.56) POLBHTTSMN1; SMN2KDM4EALDH1A1
SCHEMBL4611629 0.75 CYP1A2 (0.39) POLBMAPK1HTTSMN1; SMN2MEN1

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