SCHEMBL4555784

SCHEMBL4555784

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

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 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
SCHEMBL4555763 0.85 ACE2 (0.40) MAPT
SCHEMBL14085485 0.83 TSHR (0.42) TSHRMAPT
SCHEMBL29178249 0.83 TP53 (0.31) TP53
SCHEMBL171007 0.79
SCHEMBL29257509 0.77 TP53 (0.33) TP53
SCHEMBL5608013 0.77
SCHEMBL6232253 0.76 TSHR (0.41) TSHRTP53
SCHEMBL243129 0.76 TSHR (0.41) TSHR
SCHEMBL2947221 0.76 LMNA (0.43) TSHR
SCHEMBL15899369 0.74 LMNA (0.31) MAPT

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-20090312444-A1 CAST MOLDED ARTICLE MADE OF POLYURETHANE POROUS SUBSTANCE AND METHOD FOR PRODUCING THE SAME TOYO POLYMER CO., LTD. (JP) 2009-12-17 US disclosed