SCHEMBL16349646

SCHEMBL16349646

CCC(=O)NCC(NC(=O)CC)C(=O)NCCCCCCC(CN(CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CN(CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
CAPN1 P07384 1/20 0.37
CA1 P00915 5/20 0.37
CA2 P00918 5/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CTSS P25774 2/20 0.33
CTSK P43235 2/20 0.33
ATM Q13315 1/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
CXCR3 P49682 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
GRIA1 P42261 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
SCHEMBL13865384 0.88 TDP1 (0.45) CA14TDP1CA1CA2MEN1
SCHEMBL16349492 0.87 CA1 (0.45) CA14TDP1CAPN1CA1CA2
SCHEMBL13865394 0.86 CA14 (0.48) CA14TDP1CA1CA2MEN1
SCHEMBL13327086 0.82 TDP1 (0.47) CA14TDP1CA1CA2MEN1
SCHEMBL16349494 0.80 TDP1 (0.47) CA14TDP1CA1CA2MEN1
SCHEMBL13327079 0.80 TDP1 (0.60) CA14TDP1CA1CA2MEN1
SCHEMBL13327085 0.79 TDP1 (0.46) CA14TDP1CA1CA2MEN1
SCHEMBL16349495 0.78 CA14 (0.50) CA14TDP1CA1CA2MEN1
SCHEMBL16349524 0.78 TDP1 (0.45) CA14TDP1CA1CA2MEN1
SCHEMBL16349550 0.78 TDP1 (0.57) CA14TDP1CA1CA2MEN1

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-7531676-B2 Lipids CELLTECH R & D LIMITED (GB) 2009-05-12 US disclosed