SCHEMBL3370983

SCHEMBL3370983

CC1(C)OC(=O)C=C(CO)O1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.32
TSHR P16473 1/20 0.31
GLA P06280 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PTPN1 P18031 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL7235362 0.83 ALDH1A1 (0.33) ACHETSHRPTPN1
SCHEMBL12844899 0.79 ACHE (0.32) ACHETSHR
SCHEMBL7682479 0.79 ACHE (0.32) ACHETSHR
SCHEMBL6948155 0.79 ACHE (0.32) ACHETSHR
SCHEMBL12779376 0.79 ACHE (0.32) ACHETSHR
SCHEMBL21751797 0.79 PTPN1 (0.32) PTPN1
SCHEMBL4439425 0.79 LMNA (0.31) LMNAMAPTKMT2AL3MBTL1
SCHEMBL7237918 0.78 PTPN1 (0.35) ACHETSHRPTPN1LMNAL3MBTL1
SCHEMBL4439260 0.77 PTPN1 (0.34) PTPN1
SCHEMBL178866 0.76 L3MBTL1 (0.32) ACHEL3MBTL1

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-2163549-A1 Process for the Preparation of Tetronic Acid DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-03-17 EP disclosed