SCHEMBL474110

SCHEMBL474110

CCC(C)(C)C(=O)C(CS)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 4/20 0.35
PTGS1 P23219 2/20 0.34
SLC7A11 Q9UPY5 1/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS2 P35354 1/20 0.33
THPO P40225 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CPB2 Q96IY4 2/20 0.32
ALDH1A1 P00352 1/20 0.32
RIPK1 Q13546 2/20 0.31
ACE P12821 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
SCHEMBL17433678 0.82 CA2 (0.37) MAPTRIPK1
SCHEMBL4290322 0.77 KIF11 (0.33) RIPK1
SCHEMBL8460951 0.77 TSHR (0.32) RIPK1
SCHEMBL14470035 0.74 MAPK1 (0.39) KDM4EALDH1A1
SCHEMBL4053641 0.73 TP53 (0.33) PTGS1MAPTALDH1A1RIPK1
SCHEMBL1666550 0.72 RNPEP (0.46) KDM4EALOX15ALDH1A1
SCHEMBL8461977 0.71 RNPEP (0.33)
SCHEMBL23383641 0.70 RIPK1 (0.31) RIPK1
SCHEMBL1664400 0.70 RIPK1 (0.31) RIPK1
SCHEMBL15656492 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10793884-B2 Methods and materials for making simvastatin and related compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-10-06 US disclosed
US-20180355391-A1 METHODS AND MATERIALS FOR MAKING SIMVASTATIN AND RELATED COMPOUNDS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2018-12-13 US disclosed
US-9970037-B2 Methods and materials for making simvastatin and related compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-15 US disclosed
US-20150203884-A1 METHODS AND MATERIALS FOR MAKING SIMVASTATIN AND RELATED COMPOUNDS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2015-07-23 US disclosed
US-8951754-B2 Methods and materials for making simvastatin and related compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-02-10 US disclosed
CN-101490271-B Methods and materials for making simvastatin and related compounds UNIV CALIFORNIA 2014-03-12 CN disclosed
US-20120315680-A1 METHODS AND MATERIALS FOR MAKING SIMVASTATIN AND RELATED COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-12-13 US disclosed
US-8211664-B2 Methods and materials for making simvastatin and related compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-03 US disclosed
EP-2032715-B1 Methods and materials for making simvastatin and related compounds UNIV CALIFORNIA (US) 2012-02-01 EP disclosed
US-20090191602-A1 Methods and Materials for Making Simvastatin and Related Compounds INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2009-07-30 US disclosed
CN-101490271-A Methods and materials for making simvastatin and related compounds UNIV CALIFORNIA (US) 2009-07-22 CN disclosed
EP-2032715-A2 METHODS AND MATERIALS FOR MAKING SIMVASTATIN AND RELATED COMPOUNDS The Regents of the University of California (US) 2009-03-11 EP disclosed
WO-2007139871-A2 METHODS AND MATERIALS FOR MAKING SIMVASTATIN AND RELATED COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-12-06 WO disclosed