SCHEMBL11070056

SCHEMBL11070056

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

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.33
ALOX15 P16050 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL3893516 1.00 CA2 (0.33) CA2CA1ALOX15BLMPMP22
SCHEMBL11070059 1.00 CA2 (0.33) CA2CA1ALOX15BLMPMP22
SCHEMBL31333184 0.98 CA2 (0.33) CA2CA1ALOX15BLMPMP22
SCHEMBL10554366 0.98 CA2 (0.33) CA2CA1ALOX15BLMPMP22
SCHEMBL30113 0.98 CA2 (0.33) CA2CA1ALOX15BLMPMP22
SCHEMBL31177570 0.95 CA2 (0.33) CA2CA1ALOX15BLMPMP22
Ammonia Solution, Strong SCHEMBL9862071 0.95 TDP1 (0.33) CA2CA1ALOX15BLMPMP22
SCHEMBL28053639 0.95 CA2 (0.33) CA2CA1ALOX15BLMPMP22
Water SCHEMBL7901440 0.95 CA2 (0.33) CA2CA1ALOX15BLMPMP22
SCHEMBL10822134 0.91 TDP1 (0.36) CA2CA1ALOX15BLMPMP22

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