SCHEMBL16680980

SCHEMBL16680980

CC(O)C(=O)OC(=O)CC(O)(CC(=O)O)C(=O)O.[MgH2].[MgH2]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 6/20 0.36
LMNA P02545 5/20 0.36
TSHR P16473 3/20 0.36
MAPT P10636 2/20 0.36
ALOX15 P16050 1/20 0.36
SLC13A5 Q86YT5 7/20 0.34
CPT2 P23786 1/20 0.34
ACLY P53396 1/20 0.34
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
CYP2D6 P10635 3/20 0.32
MEN1 O00255 2/20 0.32
CYP1A2 P05177 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2C19 P33261 2/20 0.31
HIF1A Q16665 2/20 0.31
GMNN O75496 1/20 0.30

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
SCHEMBL3880794 1.00 ALDH1A1 (0.50) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL1362574 0.98 ALDH1A1 (0.52) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL2394722 0.97 ALDH1A1 (0.50) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL27580507 0.97 ALDH1A1 (0.50) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL27588803 0.97 ALDH1A1 (0.50) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL2178226 0.97 ALDH1A1 (0.50) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL3079054 0.97 ALDH1A1 (0.50) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL27960985 0.97 ALDH1A1 (0.50) ALDH1A1KDM4ELMNATSHRMAPT
Water SCHEMBL8752321 0.95 ALDH1A1 (0.48) ALDH1A1KDM4ELMNATSHRMAPT
Hydrochloric Acid SCHEMBL1504745 0.94 ALDH1A1 (0.47) ALDH1A1KDM4ELMNATSHRMAPT

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-11850231-B1 Trytophan metabolic stimulation compositions COOK CHRISTINA RAHM (US) 2023-12-26 US disclosed
US-20150125548-A1 COMBINATION NUTRITIONAL AND NUTRACEUTICAL PRODUCTS REQUIS PHARMACEUTICALS INC. (US) 2015-05-07 US disclosed