SCHEMBL8028624

SCHEMBL8028624

COC(=O)[C@H](COC(=O)C=Cc1ccc(OC(C)=O)c(OC(C)=O)c1)NC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
MAPT P10636 2/20 0.60
HTT P42858 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
JAK2 O60674 1/20 0.60
ALDH1A1 P00352 1/20 0.60
GAA P10253 1/20 0.60
ALOX5 P09917 10/20 0.56
GLA P06280 1/20 0.56
RECQL P46063 1/20 0.56
JUN P05412 1/20 0.51
NFKB1 P19838 1/20 0.51
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
FDPS P14324 1/20 0.44
TOP2A P11388 1/20 0.44

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
SCHEMBL8028620 1.00 KDM4E (0.60) KDM4EMAPTHTTSMN1; SMN2JAK2
SCHEMBL8019022 0.92 KDM4E (0.56) KDM4EMAPTHTTSMN1; SMN2JAK2
SCHEMBL8030407 0.92 KDM4E (0.56) KDM4EMAPTHTTSMN1; SMN2JAK2
SCHEMBL8028606 0.92 KDM4E (0.56) KDM4EMAPTHTTSMN1; SMN2JAK2
SCHEMBL8030398 0.92 KDM4E (0.56) KDM4EMAPTHTTSMN1; SMN2JAK2
SCHEMBL8019017 0.92 KDM4E (0.56) KDM4EMAPTHTTSMN1; SMN2JAK2
SCHEMBL8031841 0.83 KDM4E (0.60) KDM4EMAPTHTTSMN1; SMN2JAK2
SCHEMBL8034404 0.79 ALOX5 (0.79) KDM4EMAPTHTTSMN1; SMN2JAK2
SCHEMBL8028826 0.77 ALOX5 (0.58) KDM4EMAPTHTTSMN1; SMN2JAK2
SCHEMBL8028622 0.76 ALOX5 (0.56) KDM4EMAPTHTTSMN1; SMN2JAK2

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-2000063152-A1 ACETYLATED AND RELATED ANALOGUES OF CHICORIC ACID AS HIV INTEGRASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-10-26 WO disclosed