SCHEMBL12345366

SCHEMBL12345366

C=CCC[C@@H](CC)CCC=O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PLA2G2C Q5R387 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
SCHEMBL8523738 0.83
SCHEMBL2452696 0.83
SCHEMBL5377250 0.81 ALDH1A1 (0.46) TSHRALDH1A1CYP3A4L3MBTL1
SCHEMBL11154934 0.81 TSHR (0.46) TSHRALDH1A1CYP3A4
SCHEMBL1682010 0.80 ALDH1A1 (0.43) TSHRALDH1A1CYP3A4L3MBTL1
SCHEMBL8887970 0.79 TSHR (0.40) TSHRALDH1A1CYP3A4L3MBTL1
SCHEMBL9407140 0.79 ALDH1A1 (0.38) TSHRALDH1A1CYP3A4L3MBTL1
SCHEMBL20526062 0.79 TSHR (0.38) TSHRALDH1A1
SCHEMBL2958422 0.77 CYP3A4 (0.53) TSHRALDH1A1CYP3A4L3MBTL1
SCHEMBL21332621 0.77 TSHR (0.50) TSHRALDH1A1CYP3A4L3MBTL1PLA2G2C

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
EP-1877099-B1 THERAPEUTIC CONJUGATES COMPRISING A LYSOSOMAL ENZYME, POLYSIALIC ACID AND A TARGETING MOIETY GENZYME CORP (US) 2012-09-19 EP disclosed