SCHEMBL8994505

SCHEMBL8994505

C=CCN[C@@H](CC(=O)O)C(=O)O.[Na].[Na]

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.38
CA4 P22748 1/20 0.38
TDP1 Q9NUW8 1/20 0.34
CA1 P00915 2/20 0.34
GNPAT O15228 1/20 0.34
MME P08473 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL176161 0.98 CA2 (0.39) CA2CA4TDP1GNPATMME
SCHEMBL176159 0.98 CA2 (0.39) CA2CA4TDP1GNPATMME
SCHEMBL7482390 0.82 ECE1 (0.39) CA2CA1ALDH1A1
SCHEMBL10972602 0.82 ECE1 (0.39) CA2CA1ALDH1A1
SCHEMBL7775465 0.82 TSHR (0.33) GNPATSMN1; SMN2ALDH1A1
SCHEMBL1272995 0.80 ALDH1A1 (0.38) CA2CA4TDP1SMN1; SMN2ALDH1A1
SCHEMBL2286678 0.79 TGFBR1 (0.42) CA2CA1MMESMN1; SMN2ALDH1A1
SCHEMBL2286681 0.79 TGFBR1 (0.42) CA2CA1MMESMN1; SMN2ALDH1A1
SCHEMBL910826 0.78 FOLH1 (0.52)
SCHEMBL910825 0.78 FOLH1 (0.52)

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-5540336-A MIXING WITH ETHER AMINE AND ANIONIC OR NONIONIC SURFACTANT; PHOSPHORUS REMOVAL HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1996-07-30 US disclosed