SCHEMBL5490993

SCHEMBL5490993

CC(C)(C)OC(=O)N=C(NCCCCCCO)NC(=O)OC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.65
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA12 O43570 4/20 0.41
CA9 Q16790 4/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
ACHE P22303 6/20 0.37
POLB P06746 1/20 0.35

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
SCHEMBL18256747 1.00 TDP1 (0.65) TDP1MAOAMAOBCA1CA2
SCHEMBL18256745 1.00 TDP1 (0.65) TDP1MAOAMAOBCA1CA2
SCHEMBL18257733 1.00 TDP1 (0.65) TDP1MAOAMAOBCA1CA2
SCHEMBL18257737 1.00 TDP1 (0.65) TDP1MAOAMAOBCA1CA2
SCHEMBL20185050 1.00 TDP1 (0.65) TDP1MAOAMAOBCA1CA2
SCHEMBL17029991 0.99 TDP1 (0.62) TDP1MAOAMAOBCA1CA2
SCHEMBL18257732 0.99 TDP1 (0.62) TDP1MAOAMAOBCA1CA2
SCHEMBL18256781 0.94 TDP1 (0.55) TDP1MAOAMAOBCA1CA2
SCHEMBL18257730 0.94 TDP1 (0.55) TDP1MAOAMAOBCA1CA2
SCHEMBL991815 0.94 TDP1 (0.54) TDP1MAOAMAOBCA1CA2

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-7163921-B1 Peptide derivatives and medicinal compositions NIPPON SHINYAKU CO., LTD. (JP) 2007-01-16 US disclosed
EP-1275657-A1 PEPTIDE DERIVATIVES AND MEDICINAL COMPOSITIONS Nippon Shinyaku Co., Ltd. (JP) 2003-01-15 EP disclosed