SCHEMBL9258239

SCHEMBL9258239

Nc1ccc(SCCC(=O)O)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 2/20 0.46
ALDH1A1 P00352 5/20 0.42
POLB P06746 3/20 0.42
HSD17B10 Q99714 3/20 0.42
TSHR P16473 2/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA2 P00918 3/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
FGB P02675 1/20 0.38
MAP2K7 O14733 2/20 0.37
CDC25A P30304 2/20 0.37
CDC25B P30305 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
PRNP P04156 1/20 0.37
MAPK10 P53779 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL16200679 0.75 PKM (0.46) APEX1ALDH1A1POLBHSD17B10TSHR
SCHEMBL9072653 0.72 APEX1 (0.47) APEX1ALDH1A1POLBHSD17B10TSHR
SCHEMBL5717731 0.69 HPGD (0.47) APEX1ALDH1A1POLBHSD17B10TSHR
SCHEMBL2330404 0.68 RPS6KB2 (0.49) ALDH1A1POLBHSD17B10TSHRHPGD
SCHEMBL6405494 0.68 ALDH1A1 (0.53) APEX1ALDH1A1POLBTSHRHPGD
SCHEMBL9701297 0.67 MEN1 (0.54) ALDH1A1POLBHSD17B10TSHRHPGD
SCHEMBL1930794 0.65 ALDH1A1 (0.77) ALDH1A1TSHRHPGDMAPK1SMN1; SMN2
E388 SCHEMBL11805388 0.65 HSD17B10 (0.64) ALDH1A1HSD17B10TSHRHPGDMAPK1
SCHEMBL8534803 0.64 KMT2A (0.44) APEX1ALDH1A1POLBHSD17B10TSHR
SCHEMBL969935 0.63 APEX1 (0.44) APEX1ALDH1A1POLBHSD17B10TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5391564-A E.g., rhizoxin-13-yl 3-methylthiopropionate; anticarcinogenic agents SANKYO COMPANY, LIMITED (JP) 1995-02-21 US disclosed
US-5352689-A Rhizoxin derivatives and their use as anti-tumor agents SANKYO COMPANY, LIMITED (JP) 1994-10-04 US disclosed
EP-0350315-B1 RHIZOXIN DERIVATES AND THEIR USE AS ANTI-TUMOR AGENTS SANKYO COMPANY LIMITED (JP) 1993-06-16 EP disclosed
EP-0350315-A1 Rhizoxin derivates and their use as anti-tumor agents SANKYO COMPANY LIMITED (JP) 1990-01-10 EP disclosed