SCHEMBL9468720

SCHEMBL9468720

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
TET2 Q6N021 6/20 0.43
GABRR1 P24046 2/20 0.43
KDM4A O75164 2/20 0.43
KDM4C Q9H3R0 2/20 0.43
KDM2A Q9Y2K7 2/20 0.43
TET3 O43151 2/20 0.43
LMNA P02545 1/20 0.43
TET1 Q8NFU7 1/20 0.40
GPR84 Q9NQS5 3/20 0.37
PGK1 P00558 1/20 0.37
PGK2 P07205 1/20 0.37
FFAR1 O14842 1/20 0.37
GLRA1 P23415 1/20 0.37
SLC6A9 P48067 1/20 0.37

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
SCHEMBL85839 0.97
SCHEMBL2650130 0.97
SCHEMBL3347615 0.97
Hydrochloric Acid SCHEMBL25302426 0.94
Hydrochloric Acid SCHEMBL2436911 0.94
Hydrochloric Acid SCHEMBL2651912 0.94
Oxalic Acid SCHEMBL27467363 0.91 OR51E2 (0.48) OR51E2SMN1; SMN2TET2GABRR1KDM4A
Benzene SCHEMBL4472835 0.91 OR51E2 (0.48) OR51E2SMN1; SMN2TET2GABRR1KDM4A
Acetic Acid SCHEMBL3061328 0.88 OR51E2 (0.46) OR51E2SMN1; SMN2TET2GABRR1KDM4A
Diaminopropanoic Acid SCHEMBL9219051 0.84 PTGS1 (0.44) OR51E2SMN1; SMN2TET2GABRR1KDM4A

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-0511091-A1 Hard surface cleaner Colgate-Palmolive Company (US) 1992-10-28 EP claimed
US-5254290-A Mixture of nonionic and anionic surfactants, solvent, fatty acid, sequestering agent of 2-hydroxy-3-aminopropionic-n,n-diacetic acid or salts COLGATE-PALMOLIVE COMPANY 1993-10-19 US disclosed
EP-0511091-A1 Hard surface cleaner Colgate-Palmolive Company (US) 1992-10-28 EP disclosed