SCHEMBL11065997

SCHEMBL11065997

O=C(O)CC(C(=O)O)S(=O)(=O)OC(=O)CCC(=O)OS(=O)(=O)C(CC(=O)O)C(=O)O.[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH]

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
FOLH1 Q04609 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL28189251 1.00 TDP1 (0.33) TDP1FOLH1SMN1; SMN2SLC22A6POLB
SCHEMBL8345802 0.98 TDP1 (0.34) TDP1FOLH1SMN1; SMN2SLC22A6POLB
SCHEMBL27519071 0.96 FOLH1 (0.34) TDP1FOLH1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL27832597 0.96 TDP1 (0.38) TDP1FOLH1SMN1; SMN2SLC22A6POLB
SCHEMBL27881532 0.96 TDP1 (0.33) TDP1FOLH1SMN1; SMN2SLC22A6POLB
SCHEMBL27845347 0.93 FOLH1 (0.34) TDP1FOLH1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL27490054 0.93 TDP1 (0.35) TDP1FOLH1SMN1; SMN2
SCHEMBL27696676 0.93 FOLH1 (0.34) TDP1FOLH1SMN1; SMN2
SCHEMBL27678101 0.93 FOLH1 (0.34) TDP1FOLH1SMN1; SMN2
SCHEMBL28008451 0.91 TSHR (0.35) TDP1FOLH1SMN1; SMN2SLC22A6

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-4482454-A AMINO ACID AMPHOTERIC COLLECTOR FOR FLOTATION CECA S.A. (FR) 1984-11-13 US disclosed