SCHEMBL8971601

SCHEMBL8971601

CCCCCCCCC#CC(O)CCC(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.49
KMT2A Q03164 3/20 0.46
MAPT P10636 1/20 0.44
PTPN7 P35236 4/20 0.44
POLB P06746 1/20 0.43
DGKA P23743 1/20 0.42
KDM4E B2RXH2 1/20 0.42
DUSP3 P51452 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL6137456 0.90 HMGCR (0.51) HMGCRKMT2AMAPTPTPN7DGKA
SCHEMBL6137532 0.90 HMGCR (0.48) HMGCRKMT2AMAPTPTPN7DGKA
SCHEMBL6137305 0.90 HMGCR (0.51) HMGCRKMT2AMAPTPTPN7DGKA
SCHEMBL6137527 0.90 HMGCR (0.48) HMGCRKMT2AMAPTPTPN7DGKA
SCHEMBL6137584 0.90 HMGCR (0.51) HMGCRKMT2AMAPTPTPN7DGKA
SCHEMBL6137577 0.90 HMGCR (0.51) HMGCRKMT2AMAPTPTPN7DGKA
SCHEMBL6137307 0.90 HMGCR (0.51) HMGCRKMT2AMAPTPTPN7DGKA
SCHEMBL6138656 0.90 HMGCR (0.48) HMGCRKMT2AMAPTPTPN7DGKA
SCHEMBL6138650 0.90 HMGCR (0.48) HMGCRKMT2AMAPTPTPN7DGKA
SCHEMBL6137449 0.90 HMGCR (0.51) HMGCRKMT2AMAPTPTPN7DGKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0435293-B1 Methods of producing optically active hydroxyesters NITTO DENKO CORP (JP) 1996-03-20 EP disclosed
US-5272069-A Method of producing optically active hydroxyesters NITTO DENKO CO. LTD. (JP) 1993-12-21 US disclosed
EP-0435293-A2 Methods of producing optically active hydroxyesters Nitto Denko Co. Ltd. (JP) 1991-07-03 EP disclosed