SCHEMBL16006902

SCHEMBL16006902

CC(=O)NCC(=O)NCC(=O)NCCC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.38
MLYCD O95822 1/20 0.37
EPHX2 P34913 1/20 0.35
GAA P10253 3/20 0.34
TDP1 Q9NUW8 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ELANE P08246 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HIF1A Q16665 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 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
SCHEMBL8645031 0.86 KDM4E (0.43) MLYCDEPHX2GAATDP1MAOA
SCHEMBL1119918 0.85 RECQL (0.37) RECQLMLYCDEPHX2GAATDP1
SCHEMBL15146916 0.80 TSHR (0.46) RECQLEPHX2GAAKDM4EHIF1A
SCHEMBL7660758 0.80 PTPRC (0.40) RECQLGAATDP1MAOAMAOB
SCHEMBL1709282 0.79 MEN1 (0.48) RECQLMLYCDEPHX2GAATDP1
SCHEMBL4810916 0.79 MLYCD (0.40) RECQLMLYCDEPHX2GAATDP1
SCHEMBL4810925 0.79 TDP1 (0.41) RECQLMLYCDEPHX2GAATDP1
SCHEMBL23631428 0.77 MLYCD (0.39) RECQLMLYCDEPHX2GAATDP1
SCHEMBL947583 0.77 CASP2 (0.48) RECQLMLYCDEPHX2GAAHPGD
SCHEMBL16761792 0.77 ECE1 (0.41) RECQLMLYCDEPHX2GAATDP1

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
WO-2014134457-A2 CONJUGATES COMPRISING CELL-BINDING AGENTS AND CYTOTOXIC AGENTS IMMUNOGEN, INC. (US) 2014-09-04 WO disclosed