SCHEMBL8548478

SCHEMBL8548478

C[C@@]1(C(=O)O)CC(=O)C[C@]1(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.39
ALDH1A1 P00352 3/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 2/20 0.31
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
STAT6 P42226 1/20 0.31
HIF1A Q16665 1/20 0.31
NPC1 O15118 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
MTOR P42345 1/20 0.31
RAB9A P51151 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GAA P10253 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
SCHEMBL8542966 1.00 FFAR3 (0.39) FFAR3ALDH1A1ALOX15MAPK1TP53
SCHEMBL8542970 1.00 FFAR3 (0.39) FFAR3ALDH1A1ALOX15MAPK1TP53
SCHEMBL18220609 0.78
SCHEMBL7265168 0.76 FFAR3 (0.38) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL27982894 0.74
SCHEMBL22068717 0.74 FFAR3 (0.36) FFAR3ALDH1A1
SCHEMBL2505352 0.72 FFAR3 (0.36) FFAR3
SCHEMBL8189806 0.71 FFAR3 (0.30) FFAR3
SCHEMBL13818283 0.70 ALDH1A1 (0.34) FFAR3ALDH1A1ALOX15TP53
SCHEMBL19307390 0.69 FFAR3 (0.47) FFAR3ALDH1A1MAPK1TP53NFKB1

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
EP-0886635-A1 2-AMINO-5,6-DICHLOROBENZIMIDAZOLE DERIVATIVES HAVING ANTIVIRAL ACTIVITY GLAXO GROUP LIMITED (GB) 1998-12-30 EP disclosed
WO-1997025316-A1 2-AMINO-5,6-DICHLOROBENZIMIDAZOLE DERIVATIVES HAVING ANTIVIRAL ACTIVITY GLAXO GROUP LIMITED (GB) 1997-07-17 WO disclosed