SCHEMBL7747689

SCHEMBL7747689

CC(C)(C)OC(=O)NCCCCNCC(CCCCCCN)C(N)(CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
CA1 P00915 7/20 0.37
CA2 P00918 7/20 0.37
CA12 O43570 5/20 0.37
CA9 Q16790 5/20 0.37
ITGB3 P05106 6/20 0.35
ITGA2B P08514 6/20 0.35
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PAOX Q6QHF9 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
SCHEMBL3290847 0.82 CA14 (0.39) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL22558264 0.78 TDP1 (0.55) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL10688842 0.77 MAOA (0.69) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL18087669 0.77 MAOA (0.69) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL15139545 0.76 MAOA (0.67) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL5866373 0.76 TDP1 (0.71) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL146037 0.76 TDP1 (0.71) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL1286925 0.76 TDP1 (0.71) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL220281 0.76 TDP1 (0.71) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL964035 0.76 TDP1 (0.71) MAOAMAOBTDP1MEN1KMT2A

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
EP-1070047-A2 LIPIDS Celltech Chiroscience Limited (GB) 2001-01-24 EP disclosed
WO-1999052858-A2 LIPIDS CELLTECH THERAPEUTICS LIMITED (GB) 1999-10-21 WO disclosed