SCHEMBL570719

SCHEMBL570719

CO[C@@H]([C@H](O)[C@@H](O)C(C)=O)[C@H](O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
CYP2C9 P11712 1/20 0.31
PDE4A P27815 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.30

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
SCHEMBL29455702 0.89 TSHR (0.43) TSHRSLC1A3SLC1A2SLC1A1CYP2C9
SCHEMBL22688963 0.89 TSHR (0.43) TSHRSLC1A3SLC1A2SLC1A1CYP2C9
SCHEMBL10146952 0.77 TSHR (0.41) TSHRSLC1A3SLC1A2SLC1A1CYP2C9
SCHEMBL1143746 0.76 TSHR (0.50) TSHRCYP2C9PDE4ATP53
SCHEMBL9961488 0.76 TSHR (0.50) TSHRCYP2C9PDE4ATP53
SCHEMBL436408 0.76 TSHR (0.50) TSHRCYP2C9PDE4ATP53
SCHEMBL14296412 0.76 TSHR (0.50) TSHRCYP2C9PDE4ATP53
SCHEMBL21617331 0.75 PDE4A (0.57) TSHRCYP2C9PDE4A
SCHEMBL21964008 0.75 TSHR (0.35) TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL76123 0.75 TSHR (0.35) TSHRSLC1A3SLC1A2SLC1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150337279-A1 RECOMBINANT FUNGAL POLYPEPTIDES SHELL OIL COMPANY 2015-11-26 US disclosed
WO-2014081700-A1 RECOMBINANT FUNGAL POLYPEPTIDES CODEXIS, INC. (US) 2014-05-30 WO disclosed
WO-2012078741-A2 NOVEL FUNGAL ESTERASES DYADIC INTERNATIONAL (USA) INC. (US) 2012-06-14 WO disclosed
WO-2012018691-A2 NOVEL FUNGAL ENZYMES DYADIC INTERNATIONAL, INC. (US) 2012-02-09 WO disclosed