SCHEMBL13865384

SCHEMBL13865384

CCC(=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 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
CA14 Q9ULX7 2/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
GAA P10253 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CA1 P00915 6/20 0.39
CA2 P00918 6/20 0.39
CA12 O43570 5/20 0.39
CA9 Q16790 4/20 0.39
DRD2 P14416 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP3A4 P08684 1/20 0.34
ATM Q13315 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33

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
SCHEMBL13865394 0.98 CA14 (0.48) TDP1CA14MEN1KMT2AGAA
SCHEMBL13327086 0.91 TDP1 (0.47) TDP1CA14MEN1KMT2AGAA
SCHEMBL16349494 0.89 TDP1 (0.47) TDP1CA14MEN1KMT2AGAA
SCHEMBL13327079 0.89 TDP1 (0.60) TDP1CA14MEN1KMT2AGAA
SCHEMBL16349646 0.88 CA14 (0.38) TDP1CA14MEN1KMT2AGAA
SCHEMBL13865393 0.88 CA14 (0.47) TDP1CA14MEN1KMT2AGAA
SCHEMBL13327085 0.88 TDP1 (0.46) TDP1CA14MEN1KMT2AGAA
SCHEMBL13327229 0.87 CA14 (0.39) TDP1CA14MEN1KMT2AGAA
SCHEMBL16349524 0.87 TDP1 (0.45) TDP1CA14MEN1KMT2AGAA
SCHEMBL16349495 0.87 CA14 (0.50) TDP1CA14MEN1KMT2AGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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