SCHEMBL6544634

SCHEMBL6544634

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

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GNPAT O15228 1/20 0.38
GGT1 P19440 2/20 0.37
EPHX2 P34913 2/20 0.37
MME P08473 2/20 0.37
TSHR P16473 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
NOD1 Q9Y239 1/20 0.36

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
SCHEMBL6544613 0.98 CA2 (0.41) CA2CA4TDP1SMN1; SMN2GNPAT
SCHEMBL6545327 0.98 CA2 (0.41) CA2CA4TDP1SMN1; SMN2GNPAT
SCHEMBL2133501 0.98 CA2 (0.41) CA2CA4TDP1SMN1; SMN2GNPAT
SCHEMBL2907971 0.95 CA2 (0.42) CA2CA4TDP1SMN1; SMN2GNPAT
SCHEMBL2129750 0.95 CA2 (0.42) CA2CA4TDP1SMN1; SMN2GNPAT
SCHEMBL414800 0.90 CA2 (0.45) CA2CA4TDP1SMN1; SMN2GGT1
SCHEMBL4992798 0.90 CA2 (0.45) CA2CA4TDP1SMN1; SMN2GGT1
SCHEMBL5825896 0.90 CA2 (0.45) CA2CA4TDP1SMN1; SMN2GGT1
SCHEMBL15637714 0.90 CA2 (0.45) CA2CA4TDP1SMN1; SMN2GGT1
SCHEMBL39257 0.90 CA2 (0.45) CA2CA4TDP1SMN1; SMN2GGT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024202850-A1 COATING COMPOSITION HAVING HIGH SOLID CONTENT 関西ペイント株式会社 2024-10-03 WO disclosed
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