SCHEMBL28746401

SCHEMBL28746401

O=C(O)C(O)O.O=C(O)C(S)S.OCC(CO)(CO)CO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.36
FOLH1 Q04609 1/20 0.36
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP2C9 P11712 2/20 0.35
ABCB11 O95342 1/20 0.35
F2 P00734 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN5 P54829 1/20 0.35
PTPN11 Q06124 1/20 0.35
LMNA P02545 1/20 0.35
HIF1A Q16665 1/20 0.35
RNPEP Q9H4A4 3/20 0.32

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
SCHEMBL2770550 0.92 TDP1 (0.40) OR51E2FOLH1HPGDHSD17B10TDP1
SCHEMBL2202864 0.84 FOLH1 (0.44) OR51E2FOLH1HPGDHSD17B10TDP1
SCHEMBL2768344 0.78 TDP1 (0.37) FOLH1HPGDHSD17B10TDP1CYP2C9
SCHEMBL7163797 0.78 FOLH1 (0.35) FOLH1TSHR
SCHEMBL1171013 0.77 RNPEP (0.42) FOLH1HPGDHSD17B10TDP1CYP2C9
SCHEMBL4967302 0.77 RNPEP (0.42) FOLH1HPGDHSD17B10TDP1CYP2C9
SCHEMBL16536080 0.77 RNPEP (0.42) FOLH1HPGDHSD17B10TDP1CYP2C9
SCHEMBL467265 0.77 RNPEP (0.42) FOLH1HPGDHSD17B10TDP1CYP2C9
SCHEMBL29366714 0.77 RNPEP (0.42) FOLH1HPGDHSD17B10TDP1CYP2C9
Cadaverine Tartrate SCHEMBL10794195 0.76 TSHR (0.59) OR51E2CYP2C9KDM4ETET2KDM4A

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
CN-1317927-A Base-triggered release microcapsules ZENECA LTD (GB) 2001-10-17 CN disclosed