SCHEMBL7714795

SCHEMBL7714795

[O]CC(CCC(=O)O)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 14/20 0.65
GRM3 Q14832 2/20 0.56
NAALAD2 Q9Y3Q0 1/20 0.56
KDM4A O75164 1/20 0.50
TET2 Q6N021 1/20 0.50
KDM4C Q9H3R0 1/20 0.50
KDM2A Q9Y2K7 1/20 0.50

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
SCHEMBL108166 0.86 FOLH1 (0.76) FOLH1GRM3NAALAD2KDM4ATET2
SCHEMBL29060942 0.83 FOLH1 (0.73) FOLH1GRM3NAALAD2KDM4ATET2
SCHEMBL13726298 0.83 FOLH1 (0.73) FOLH1GRM3NAALAD2KDM4ATET2
SCHEMBL27996973 0.83 FOLH1 (0.73) FOLH1GRM3NAALAD2KDM4ATET2
SCHEMBL28640 0.79 FOLH1 (1.00) FOLH1GRM3NAALAD2KDM4ATET2
SCHEMBL107884 0.79 FOLH1 (0.65) FOLH1GRM3NAALAD2KDM4ATET2
SCHEMBL1299867 0.77 FOLH1 (0.62) FOLH1GRM3NAALAD2
SCHEMBL1722576 0.77 FOLH1 (0.62) FOLH1GRM3NAALAD2
SCHEMBL4331999 0.77 FOLH1 (0.62) FOLH1GRM3NAALAD2
SCHEMBL928641 0.77 FOLH1 (0.64) FOLH1GRM3NAALAD2

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
US-6369101-B1 Therapeutic method to treat herpes virus infection REGENTS OF THE UNIVERSITY OF MINNESOTA 2002-04-09 US disclosed
WO-1998034603-A1 USE OF BETULIN AND ANALOGS THEREOF TO TREAT HERPESVIRUS INFECTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1998-08-13 WO disclosed