SCHEMBL24258466

SCHEMBL24258466

CCOC(=O)C(C(=O)NCCCCCCNC(=O)OCCCCC(C)(C)OCCCCC(C)(C)OC(=O)NCCCCCCNC(=O)C(C(=O)OCC)C(=O)OCC)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.43
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
EPHX2 P34913 2/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL19636118 0.71 TSHR (0.46) ACHECA12CA1CA2CA9
SCHEMBL18562897 0.67 TSHR (0.51) ACHECA12CA1CA2CA9
SCHEMBL21555735 0.67 TSHR (0.44) ACHECA12CA1CA2CA9
SCHEMBL6465300 0.66 ACHE (0.57) ACHECA12CA1CA2CA9
SCHEMBL12340557 0.66 ACHE (0.57) ACHECA12CA1CA2CA9
SCHEMBL6469045 0.66 ACHE (0.57) ACHECA12CA1CA2CA9
SCHEMBL6468825 0.66 ACHE (0.57) ACHECA12CA1CA2CA9
SCHEMBL7088039 0.66 ACHE (0.57) ACHECA12CA1CA2CA9
SCHEMBL19262259 0.66 TDP1 (0.50) ACHECA12CA1CA2CA9
SCHEMBL20459265 0.65 EPHX1 (0.55) ACHEEPHX2

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-11254831-B2 Encapsulated oligomeric blocked isocyanates AGFA NV (BE) 2022-02-22 US disclosed