SCHEMBL28064758

SCHEMBL28064758

CC(C)CC(O)C(=O)O.CC(C)CC(O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.52
SLC7A5 Q01650 1/20 0.52
OR51E2 Q9H255 1/20 0.48
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
TET2 Q6N021 3/20 0.42
KDM4A O75164 2/20 0.42
KDM4C Q9H3R0 2/20 0.42
KDM2A Q9Y2K7 2/20 0.42
TET3 O43151 1/20 0.42
CPA1 P15085 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL185354 1.00
SCHEMBL361589 1.00
SCHEMBL1336542 1.00
SCHEMBL11476606 0.97 RNPEP (0.50) RNPEPSLC7A5OR51E2TP53SMN1; SMN2
SCHEMBL28300024 0.97 RNPEP (0.50) RNPEPSLC7A5OR51E2TP53SMN1; SMN2
Methane SCHEMBL11205299 0.97 RNPEP (0.50) RNPEPSLC7A5OR51E2TP53SMN1; SMN2
Hydrochloric Acid SCHEMBL3345131 0.97 RNPEP (0.50) RNPEPSLC7A5OR51E2TP53SMN1; SMN2
Lactic Acid SCHEMBL4626495 0.95 TP53 (0.58) RNPEPSLC7A5OR51E2TP53SMN1; SMN2
Leucine SCHEMBL20898433 0.86 SLC7A5 (0.78) RNPEPSLC7A5SLC1A3SLC1A2
SCHEMBL30970939 0.84 TET2 (0.71) RNPEPSLC7A5TET2KDM4AKDM4C

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
CN-103314101-B The bio-fuel of the recombinant microorganism fermenting by protein biomass and chemical production THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-05-18 CN disclosed