SCHEMBL7689414

SCHEMBL7689414

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.43
SLC1A3 P43003 11/20 0.42
SLC1A2 P43004 11/20 0.42
SLC1A1 P43005 11/20 0.42
USP2 O75604 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
GLO1 Q04760 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
GRM8 O00222 1/20 0.31
PTGS1 P23219 1/20 0.31
SLC7A11 Q9UPY5 1/20 0.31

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
SCHEMBL6429649 0.84 SLC7A5 (0.40) SLC7A5SLC1A3SLC1A2SLC1A1USP2
SCHEMBL30011106 0.84 SLC7A5 (0.40) SLC7A5SLC1A3SLC1A2SLC1A1USP2
SCHEMBL27517173 0.79 SLC7A5 (0.46) SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL27517174 0.79 SLC7A5 (0.46) SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL5668511 0.79 SLC7A5 (0.46) SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL60300 0.78 ALDH1A1 (0.35) MEN1CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL27560399 0.77 SLC7A5 (0.56) SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL27547547 0.77 SLC7A5 (0.56) SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL4953782 0.76 SLC7A5 (0.42) SLC7A5SLC1A3SLC1A2SLC1A1USP2
SCHEMBL4950087 0.76 SLC7A5 (0.42) SLC7A5SLC1A3SLC1A2SLC1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115477683-A Dioxiexacyclo-tetrahydrocarboline-3-formylamino acid with interleukin-6 as target and preparation and application thereof 首都医科大学 2022-12-16 CN disclosed
US-6437145-B1 REACTING N-PROTECTED AMINODICARBOXYLIC ACIDS WITH A DEHYDRATING AGENT TO FORM CYCLIC ANHYDRIDES WHICH ARE REACTED WITH CARBONYL COMPOUNDS; FOR THE ALPHA-SELECTIVE PRODUCTION OF ESTERS OR AMIDES OF DICARBOXYLIC AMINO ACIDS DEGUSSA-HULS AG (DE) 2002-08-20 US disclosed
US-6051715-A Method of producing oxazolidinones, the use thereof and novel oxazolidinones DEGUSSA-HULS AG (DE) 2000-04-18 US disclosed