SCHEMBL6427384

SCHEMBL6427384

CC(=O)Nc1nc(CCc2ccc(NC(C(C)(C)C)C(NC(=O)O)(NC(=O)O)C(C)(C)C)cc2)c(C(=O)NCCCC(=O)N2CCCCC2)s1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
HPGD P15428 4/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
ALDH1A1 P00352 5/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
TSHR P16473 1/20 0.31
AOC3 Q16853 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
USP28 Q96RU2 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL4872003 0.86 POLB (0.36) POLBHPGDGAAALOX15ALDH1A1
SCHEMBL4984472 0.84 ALDH1A1 (0.34) POLBHPGDGAAALOX15ALDH1A1
SCHEMBL6427390 0.84 POLB (0.33) POLBHPGDGAAALOX15ALDH1A1
SCHEMBL4984475 0.83 ALDH1A1 (0.33) POLBHPGDGAAALOX15ALDH1A1
SCHEMBL14019595 0.81 POLB (0.39) POLBHPGDGAAALOX15ALDH1A1
Hydrochloric Acid SCHEMBL4873425 0.80 POLB (0.39) POLBHPGDGAAALOX15ALDH1A1
SCHEMBL4874627 0.79 ALDH1A1 (0.39) GAAALDH1A1KMT2ATSHRAOC3
Carbamic Acid SCHEMBL4872027 0.78 AOC3 (0.37) POLBHPGDGAAALOX15AOC3
SCHEMBL4991683 0.78 ALDH1A1 (0.38) GAAALDH1A1KMT2AMAPTTSHR
SCHEMBL6390501 0.77 GHSR (0.39) HPGDALDH1A1AOC3

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-1608365-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE Sucampo AG (CH) 2005-12-28 EP disclosed
WO-2004087138-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2004-10-14 WO disclosed