SCHEMBL2935591

SCHEMBL2935591

C[C@H](N)C(=O)CC(O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
LTA4H P09960 1/20 0.44
TET2 Q6N021 6/20 0.43
TET3 O43151 2/20 0.43
TET1 Q8NFU7 1/20 0.43
OR51E2 Q9H255 1/20 0.40
SLC7A5 Q01650 2/20 0.39
TP53 P04637 1/20 0.39
KDM4A O75164 2/20 0.36
KDM4C Q9H3R0 2/20 0.36
KDM2A Q9Y2K7 2/20 0.36
GPR84 Q9NQS5 3/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
FFAR1 O14842 1/20 0.35

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
SCHEMBL3985265 1.00 SMN1; SMN2 (0.50) SMN1; SMN2LTA4HTET2TET3TET1
Malic Acid SCHEMBL30388197 0.81 SMN1; SMN2 (0.71) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL8071224 0.80 SMN1; SMN2 (0.55) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL4410670 0.80 SMN1; SMN2 (0.55) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL8060386 0.80 SMN1; SMN2 (0.55) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL8060390 0.80 SMN1; SMN2 (0.55) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL434919 0.78 SLC7A5 (0.58) LTA4HSLC7A5SLC1A3SLC1A2SLC1A1
Malic Acid SCHEMBL21145201 0.78 SMN1; SMN2 (0.75) SMN1; SMN2TET2TET3TET1OR51E2
Malic Acid SCHEMBL21145198 0.78 SMN1; SMN2 (0.75) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL21585639 0.78 SLC7A5 (0.58) LTA4HSLC7A5SLC1A3SLC1A2SLC1A1

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-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 US disclosed
EP-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 EP disclosed