SCHEMBL4846815

SCHEMBL4846815

C[C@@H]1OC(=O)C(NCc2ccccc2)[C@H]1C

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.46
FUCA1 P04066 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
SCHEMBL4846105 1.00 NAAA (0.46) NAAAFUCA1
SCHEMBL4848304 1.00 NAAA (0.46) NAAAFUCA1
Hydrochloric Acid SCHEMBL4854553 0.98 NAAA (0.45) NAAAFUCA1
Hydrochloric Acid SCHEMBL4844494 0.98 NAAA (0.45) NAAAFUCA1
SCHEMBL13502393 0.73 NAAA (0.73) NAAA
SCHEMBL11247668 0.73 ABCB1 (0.41) FUCA1
SCHEMBL9663977 0.71 FUCA1 (0.44) NAAAFUCA1
SCHEMBL20878240 0.70 CTRB1 (0.46) NAAA
SCHEMBL19532098 0.70 CTRB1 (0.59) NAAA
SCHEMBL19532099 0.70 CTRB1 (0.59) NAAA

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 5 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
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