SCHEMBL3465185

SCHEMBL3465185

CCC(=O)OC(=O)O.[CaH2].[NaH]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.42
ALDH1A1 P00352 5/20 0.39
NAAA Q02083 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
SOAT1 P35610 1/20 0.33
ELANE P08246 1/20 0.32
HIF1A Q16665 2/20 0.32
CYP1A2 P05177 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
WRN Q14191 1/20 0.32
ESR1 P03372 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL27964322 0.97 FFAR3 (0.44) FFAR3ALDH1A1NAAATDP1MGAM
SCHEMBL27394003 0.97 FFAR3 (0.44) FFAR3ALDH1A1NAAATDP1MGAM
SCHEMBL27392094 0.97
SCHEMBL2240397 0.94
Ammonia Solution, Strong SCHEMBL28263086 0.91
SCHEMBL28417741 0.91
Dimethylamine SCHEMBL28317031 0.86 FFAR3 (0.40) FFAR3ALDH1A1NAAATDP1MGAM
SCHEMBL7152292 0.81 ALDH1A1 (0.56) FFAR3ALDH1A1NAAATDP1MGAM
SCHEMBL27988653 0.81 ALDH1A1 (0.56) FFAR3ALDH1A1NAAATDP1MGAM
SCHEMBL2128603 0.81 ALDH1A1 (0.56) FFAR3ALDH1A1NAAATDP1MGAM

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
US-7794649-B2 Method of making heat cells comprising exothermic compositions having absorbent gelling material WYETH LLC (US) 2010-09-14 US claimed