SCHEMBL8101409

SCHEMBL8101409

O=C(O)NC(=O)O.[NaH].[NaH].[NaH].[NaH]

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.40
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
LDHA P00338 2/20 0.36
LDHB P07195 1/20 0.36
SRR Q9GZT4 1/20 0.36
ACHE P22303 1/20 0.31
FFAR3 O14843 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 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
SCHEMBL29978 0.95
SCHEMBL29280194 0.90
Hydrochloric Acid SCHEMBL20242223 0.90
SCHEMBL4858804 0.90
SCHEMBL17273176 0.90 KDM5B (0.40) KDM5BCA1CA2CA9LDHA
Hydrochloric Acid SCHEMBL27971665 0.90
Ethyne SCHEMBL1652066 0.90
SCHEMBL17273189 0.90
SCHEMBL11697459 0.90
Water SCHEMBL11882064 0.90

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6013612-A CONTAINS AMINODICARBOXYLIC ACID N,N-DIACETIC ACID SALT, (PARTICULARLY ASPARTIC ACID N,N-DIACETIC ACID SALT OR GLUTAMIC ACID N,N-DIACETIC ACID SALT) AND A GLYCOLIC ACID SALT HAVING A PH 8.5 OR HIGHER; BIODEGRADABLE SHOWA DENKO K.K. (JP) 2000-01-11 US disclosed