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SCHEMBL23407864

SCHEMBL23407864

CC(C)COC(=O)CN(CC(=O)OCC(C)C)C(CCCCNC(=O)CCOCC(COCCC(=O)NCCCCC(C(=O)OCC(C)C)N(CC(=O)OCC(C)C)CC(=O)OCC(C)C)(COCCC(=O)NCCCCC(C(=O)OCC(C)C)N(CC(=O)OCC(C)C)CC(=O)OCC(C)C)NC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(=O)OCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 9/20 0.50
▸ CA2 P00918 9/20 0.50
▸ CA9 Q16790 9/20 0.50
▸ CA12 O43570 6/20 0.50
▸ FKBP1A P62942 4/20 0.48
▸ CA14 Q9ULX7 2/20 0.46
▸ CA7 P43166 2/20 0.46
▸ ELF3 P78545 3/20 0.44
▸ MED23 Q9ULK4 3/20 0.44
▸ ALB P02768 1/20 0.43
▸ HTR3A P46098 2/20 0.43

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
SCHEMBL23407852 0.97 CA1 (0.47) CA1CA2CA9CA12FKBP1A
SCHEMBL23407863 0.90 CA1 (0.59) CA1CA2CA9CA12FKBP1A
SCHEMBL23407853 0.88 CA1 (0.50) CA1CA2CA9CA12FKBP1A
SCHEMBL23407854 0.81 CA1 (0.46) CA1CA2CA9CA12FKBP1A
SCHEMBL14754541 0.78 CA1 (0.67) CA1CA2CA9CA12FKBP1A
SCHEMBL23407865 0.77 CA1 (0.64) CA1CA2CA9CA12FKBP1A
SCHEMBL21186772 0.76 CA9 (0.65) CA1CA2CA9CA12CA14
SCHEMBL23027406 0.76 CA1 (0.68) CA1CA2CA9CA12FKBP1A
SCHEMBL26084225 0.75 CA1 (0.68) CA1CA2CA9CA12FKBP1A
SCHEMBL19455756 0.75 CA1 (0.64) CA1CA2CA9CA12FKBP1A

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-20210156867-A1 QUINOLINE BASED CYANINE DYE TURN-ON FLUORESCENT PROBES AND METHODS OF USE THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2021-05-27 — — US disclosed
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