SCHEMBL11028631

SCHEMBL11028631

COCC(=O)C(O)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 2/20 0.32
CA14 Q9ULX7 2/20 0.32
HPGD P15428 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 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
SCHEMBL2200318 0.78 CA1 (0.39) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL20931300 0.78 CA1 (0.39) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL1663158 0.76 SMN1; SMN2 (0.39) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL5411165 0.76 SMN1; SMN2 (0.50) CA1CA2CA12SMN1; SMN2TSHR
SCHEMBL3525495 0.74 CA1 (0.37) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL30871595 0.74 CA1 (0.37) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL2440432 0.74 ZDHHC7 (0.38) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL23803859 0.73 CA1 (0.36) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL16610683 0.73 CA1 (0.39) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL3545240 0.70 CA12 (0.35) CA1CA2CA12CA9SMN1; SMN2

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-4501917-A REACTING WITH CARBON MONOXIDE; CATALYST IS ACID ORGANIC ION EXCHANGE MATERIAL HOECHST AKTIENGESELLSCHAFT (DE) 1985-02-26 US disclosed