SCHEMBL13479697

SCHEMBL13479697

CCOC(=O)CCC(=O)Nc1cc(BCC(O)CNC(=O)c2ccc(Cl)s2)ccc1N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.39
F10 P00742 8/20 0.38
F2 P00734 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35
TP53 P04637 1/20 0.35
CASP1 P29466 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
SCHEMBL87663 0.77 F10 (0.66) F10F2
SCHEMBL87704 0.76 F10 (0.65) F10F2
SCHEMBL13479590 0.74 NPSR1 (0.46) ALDH1A1HPGDKDM4ELMNAF10
SCHEMBL8246133 0.74 NPSR1 (0.44) ALDH1A1HPGDKDM4ELMNAF10
SCHEMBL8244920 0.74 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EF10MEN1
SCHEMBL15500429 0.71 KDM4E (0.42) ALDH1A1HPGDKDM4EF10MAPT
SCHEMBL87333 0.69 F10 (0.68) F10F2
SCHEMBL8361475 0.68 NPSR1 (0.42) ALDH1A1HPGDKDM4ELMNAF10
SCHEMBL78813 0.68 F10 (0.48) ALDH1A1HPGDKDM4ELMNAF10
SCHEMBL87227 0.67 F10 (0.71) F10

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
EP-1411932-B1 SUBSTITUTED OXAZOLIDINONES FOR COMBINATIONAL THERAPY BAYER SCHERING PHARMA AG (DE) 2010-02-10 EP disclosed