SCHEMBL6281708

SCHEMBL6281708

O=C(O)C1=C(C(=O)O)CCC1.O=C(O)C1C(C(=O)O)C1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DHODH Q02127 4/20 0.39
PARP1 P09874 1/20 0.35
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
APEX1 P27695 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
PMP22 Q01453 1/20 0.33
TFPI2 P48307 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
ALDH1A1 P00352 2/20 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
SCHEMBL252263 0.86 DHODH (0.45) DHODHPARP1PARP15PARP10FABP4
SCHEMBL6281715 0.82 KDM4E (0.32) KDM4EPOLBL3MBTL1DHODH
SCHEMBL28247062 0.80 DHODH (0.41) DHODHPARP1PARP15PARP10FABP4
SCHEMBL12491709 0.80 DHODH (0.41) DHODHPARP1PARP15PARP10FABP4
SCHEMBL5415654 0.80 DHODH (0.41) DHODHPARP1PARP15PARP10FABP4
SCHEMBL12491707 0.80 DHODH (0.41) DHODHPARP1PARP15PARP10FABP4
SCHEMBL17024327 0.80 DHODH (0.41) DHODHPARP1PARP15PARP10FABP4
SCHEMBL17024326 0.80 DHODH (0.41) DHODHPARP1PARP15PARP10FABP4
SCHEMBL217840 0.80 DHODH (0.41) DHODHPARP1PARP15PARP10FABP4
Bromide SCHEMBL689744 0.77 DHODH (0.39) DHODHPARP1PARP15PARP10FABP4

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-2005123913-A2 REVERSIBLY MODIFIED THERMOSTABLE ENZYME COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME NUSTAR LABORATORY (US) 2005-12-29 WO disclosed