SCHEMBL26550486

SCHEMBL26550486

CCC(C)n1cc(CO)c(=O)[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.37
MET P08581 1/20 0.36
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
DNPH1 O43598 1/20 0.33
HTT P42858 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
DAO P14920 3/20 0.33
TK2 O00142 1/20 0.32
TK1 P04183 1/20 0.32
HPGD P15428 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
SCHEMBL23734278 0.88 ALDH1A1 (0.43) ALDH1A1CYP2C19SMN1; SMN2METHTT
SCHEMBL18858876 0.85 MET (0.39) ALDH1A1CYP2C19SMN1; SMN2METGRIA1
SCHEMBL22381003 0.78 ALDH1A1 (0.43) ALDH1A1CYP2C19SMN1; SMN2DAOTK1
SCHEMBL24235951 0.77 SMN1; SMN2 (0.58) ALDH1A1CYP2C19SMN1; SMN2METGRIA1
SCHEMBL4484823 0.77 GAA (0.51) ALDH1A1CYP2C19SMN1; SMN2METGRIA1
SCHEMBL10137841 0.74 SMN1; SMN2 (0.41) ALDH1A1CYP2C19SMN1; SMN2METHTT
SCHEMBL17379726 0.73 UPP1 (0.41) CYP2C19SMN1; SMN2GRIA1GRIA2GRIA3
SCHEMBL16434593 0.72 GRIA1 (0.41) ALDH1A1CYP2C19GRIA1GRIA2GRIA3
SCHEMBL24564759 0.70 SMN1; SMN2 (0.42) ALDH1A1CYP2C19SMN1; SMN2METHTT
SCHEMBL22327058 0.69 CYP2C19 (0.37) ALDH1A1CYP2C19SMN1; SMN2METJAK2

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-20230332184-A1 TEMPLATE GUIDE RNA MOLECULES FLAGSHIP PIONEERING INNOVATIONS VI, LLC 2023-10-19 US disclosed