SCHEMBL5404110

SCHEMBL5404110

CC(=O)C(=O)OC(=O)CC(O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
TET2 Q6N021 6/20 0.39
TET3 O43151 2/20 0.39
TET1 Q8NFU7 1/20 0.39
OR51E2 Q9H255 1/20 0.36
GPR84 Q9NQS5 3/20 0.32
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
FFAR1 O14842 1/20 0.32
KDM4A O75164 2/20 0.32
KDM4C Q9H3R0 2/20 0.32
KDM2A Q9Y2K7 2/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL1828775 0.96 SMN1; SMN2 (0.41) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL6863771 0.87 SMN1; SMN2 (0.52) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL4734172 0.83
SCHEMBL6431576 0.83 SMN1; SMN2 (0.48) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL28189997 0.82 TET2 (0.44) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL11219458 0.82 SMN1; SMN2 (0.57) SMN1; SMN2TET2TET3TET1OR51E2
Malic Acid SCHEMBL2547199 0.81 SMN1; SMN2 (0.48) SMN1; SMN2TET2TET3TET1KDM4A
SCHEMBL1925062 0.80 TET2 (0.48) SMN1; SMN2TET2TET3OR51E2GPR84
Acetic Acid SCHEMBL27589354 0.79 SMN1; SMN2 (0.44) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL4727009 0.78 ALDH1A1 (0.33)

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-7256047-B2 Measurement of gluconeogenesis and intermediary metabolism using stable isotopes BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-08-14 US disclosed
US-20030148533-A1 Measurement of gluconeogenesis and intermediary metabolism using stable isotopes NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2003-08-07 US disclosed
US-6013858-A TRANSGENIC MOUSE WHOSE GENOME CONTAINS A DEFECTIVE ENDOGENOUS TRANSPORT PROTEIN INVOLVED IN OXIDATIVE PHOSPHORYLATION; A MODEL FOR TREATMENT AND STUDY OF MITOCHONDRIAL DISEASE AND MODULATORS OF MITOCHONDRIAL EXPRESSION EMORY UNIVERSITY (US) 2000-01-11 US disclosed
WO-1998019714-A1 MOUSE LACKING HEART-MUSCLE ADENINE NUCLEOTIDE TRANSLOCATOR PROTEIN AND METHODS EMORY UNIVERSITY (US) 1998-05-14 WO disclosed