SCHEMBL5803750

SCHEMBL5803750

C#CCC(CC#C)(C(=O)O)C(=O)OC(C)CC

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPT P10636 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
SCHEMBL5820581 0.87
SCHEMBL3531184 0.80 MAPT (0.34) MAPT
SCHEMBL9550958 0.79 MAPT (0.33) MAPT
SCHEMBL2353120 0.77 MAPT (0.33) MAPT
SCHEMBL27861619 0.75 MEN1 (0.46) MAPT
SCHEMBL15353162 0.75 MEN1 (0.34)
SCHEMBL8979188 0.74 MEN1 (0.50)
SCHEMBL5806972 0.73 ALDH1A1 (0.32) MAPT
SCHEMBL12079646 0.72 LMNA (0.39) MAPT
SCHEMBL3519696 0.71 KDM4E (0.31)

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
WO-2006117800-A2 NOVEL 3, 4-PROPYLENEDIOXYTHIOPHENE DERIVATIVES WITH PENDANT FUNCTIONAL GROUPS INDIAN INSTITUTE OF TECHNOLOGY BOMBAY (IN) 2006-11-09 WO claimed
WO-2006117800-A2 NOVEL 3, 4-PROPYLENEDIOXYTHIOPHENE DERIVATIVES WITH PENDANT FUNCTIONAL GROUPS INDIAN INSTITUTE OF TECHNOLOGY BOMBAY (IN) 2006-11-09 WO disclosed