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Sugi Predict / Compounds / SCHEMBL7260635

SCHEMBL7260635

SCHEMBL7260635

CCCC(N(CC(CCCCCCO)CN(C(=O)OC(C)(C)C)C(CCC)N(C(=O)OC(C)(C)C)C(CC)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(CC)NC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.36
▸ CTSK P43235 11/20 0.33
▸ CTSS P25774 2/20 0.33
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ HDAC4 P56524 2/20 0.31
▸ HDAC1 Q13547 2/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL3288389 0.86 TDP1 (0.41) TDP1CTSKCTSSCA12CA1
SCHEMBL3289720 0.82 CA12 (0.31) TDP1CA12CA1CA2CA14
SCHEMBL6888538 0.80 — —
SCHEMBL3290851 0.77 CTSK (0.37) CTSKCTSSCA12CA1CA2
SCHEMBL6889561 0.74 CA12 (0.37) CTSKCTSSCA12CA1CA2
SCHEMBL3288375 0.72 TDP1 (0.36) TDP1CTSKCTSS
SCHEMBL3293189 0.69 CAPN1 (0.39) TDP1CTSKCTSSCA12CA1
SCHEMBL13469276 0.68 TDP1 (0.49) TDP1CTSKCTSSCA1CA2
SCHEMBL16349550 0.65 TDP1 (0.57) TDP1CTSKCA12CA1CA2
SCHEMBL13327079 0.65 TDP1 (0.60) TDP1CA12CA1CA2CA14

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-6583301-B1 Bipolar; form complexes with polyanions; delivering bioactive substances such as nucleic acids to cells in vitro and in vivo CELLTECH R & D LIMITED (GB) 2003-06-24 — — US disclosed