SCHEMBL28984091

SCHEMBL28984091

CC(OC(=O)CC(O)(CC(=O)O)C(=O)O)C(=O)O.[CaH2]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 4/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.38
CPT2 P23786 1/20 0.36
ACLY P53396 1/20 0.36
SLC13A5 Q86YT5 5/20 0.35
HMGCR P04035 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
ADRA1A P35348 1/20 0.34
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
HSPD1 P10809 1/20 0.32

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
SCHEMBL1648052 0.98 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAMAPTTSHR
Ammonia Solution, Strong SCHEMBL5048407 0.96 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAMAPTTSHR
SCHEMBL28276756 0.96 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAMAPTTSHR
SCHEMBL28424349 0.96 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAMAPTTSHR
SCHEMBL25376169 0.96 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAMAPTTSHR
Citric Acid SCHEMBL27402805 0.86 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAMAPTTSHR
SCHEMBL37069 0.85 ALDH1A1 (0.58) ALDH1A1KDM4ELMNAMAPTTSHR
SCHEMBL27627713 0.84 ALDH1A1 (0.38) ALDH1A1
Water SCHEMBL17966763 0.84 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAMAPTTSHR
Ammonia Solution, Strong SCHEMBL21219077 0.84 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAMAPTTSHR

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-115968257-A Solid composition for producing antibacterial, antiviral, antifungal and bactericidal solutions 库尔集团有限公司 2023-04-14 CN disclosed