SCHEMBL6545327

SCHEMBL6545327

O=C(O)C[C@H](NCCCCCCN[C@@H](CC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
EPHX2 P34913 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
NOD1 Q9Y239 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
GNPAT O15228 1/20 0.37
GGT1 P19440 2/20 0.36
MME P08473 2/20 0.36
PRMT1 Q99873 1/20 0.35
TSHR P16473 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
SCHEMBL2133501 1.00 CA2 (0.41) CA2CA4EPHX2TDP1NOD1
SCHEMBL6544613 1.00 CA2 (0.41) CA2CA4EPHX2TDP1NOD1
SCHEMBL6544634 0.98 CA2 (0.42) CA2CA4EPHX2TDP1NOD1
SCHEMBL2129750 0.93 CA2 (0.42) CA2CA4TDP1SMN1; SMN2GNPAT
SCHEMBL2907971 0.93 CA2 (0.42) CA2CA4TDP1SMN1; SMN2GNPAT
SCHEMBL23120312 0.92 PRMT1 (0.48) EPHX2GNPATPRMT1TSHR
SCHEMBL7862543 0.90 FOLH1 (0.44) GGT1
SCHEMBL25254866 0.90 EPHX2 (0.50) EPHX2TDP1NOD1TSHR
SCHEMBL11586517 0.90 FOLH1 (0.44) GGT1
SCHEMBL7626586 0.90 EPHX2 (0.50) EPHX2TDP1NOD1TSHR

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
EP-0927762-B1 Method for removing fumarase activity, Microorganisms obtainable by the method and production of optically active aminopolycarboxylic acids using the microorganisms MITSUBISHI RAYON CO (JP) 2004-01-07 EP disclosed
US-6103508-A REMOVING ENZYME ACTIVITY FROM A BREVIBACTERIUM OR PROTEIN OF BREVIBACTERIUM; INCUBATION OF BREVIBACTERIUM OR PRODUCT IN ALKALINE SOLUTION AND SALT OF AN ACID MITSUBISHI RAYON CO., LTD. (JP) 2000-08-15 US disclosed
EP-0927762-A2 Method for removing fumarase activity, Microorganisms obtainable by the method and production of optically active aminopolycarboxylic acids using the microorganisms Mitsubishi Rayon Co., Ltd. (JP) 1999-07-07 EP disclosed