SCHEMBL6505883

SCHEMBL6505883

CCOc1c(C#CCC2NCSc3ccccc32)cccc1OC(=O)CC

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
HTT P42858 1/20 0.32
POLB P06746 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
SCHEMBL6509349 0.69 TP53 (0.36) MAPTHTTPOLB
SCHEMBL6507803 0.67 ALDH1A1 (0.40) HTT
SCHEMBL6532465 0.66 MAPT (0.41) MAPTPOLB
SCHEMBL15558253 0.63 L3MBTL1 (0.46) MAPT
SCHEMBL6249085 0.61 L3MBTL1 (0.59) MAPTPOLB
SCHEMBL8435546 0.59 ALOX15 (0.55) MAPT
SCHEMBL15558679 0.59 ALDH1A1 (0.44)
SCHEMBL7282783 0.59 ELANE (0.44) MAPT
SCHEMBL27595216 0.58 GAA (0.45) MAPTHTTPOLB
SCHEMBL28810921 0.58 ALOX15 (0.44)

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-2005100318-A1 ALKANOIC ACIDS AND THEIR ESTERS AS ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (US) 2005-10-27 WO claimed
WO-2005100318-A1 ALKANOIC ACIDS AND THEIR ESTERS AS ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (US) 2005-10-27 WO disclosed