SCHEMBL8529276

SCHEMBL8529276

CS(=O)(=O)OC[C@@H](O)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.48
MAPT P10636 1/20 0.42
GABRR1 P24046 2/20 0.41
LMNA P02545 2/20 0.41
GPR84 Q9NQS5 4/20 0.38
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MMP9 P14780 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PGD P52209 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL6157808 1.00 SLC22A6 (0.48) SLC22A6MAPTGABRR1LMNAGPR84
SCHEMBL9328721 1.00 SLC22A6 (0.48) SLC22A6MAPTGABRR1LMNAGPR84
SCHEMBL2538118 0.82 USP2 (0.43) LMNAKDM4EUSP2ALDH1A1MMP9
SCHEMBL6155702 0.80 TSHR (0.34) LMNAKDM4EUSP2ALDH1A1MMP9
SCHEMBL6155710 0.77 GAA (0.39) LMNAALDH1A1ALOX15TSHRTDP1
SCHEMBL6233361 0.76 TSHR (0.35) MAPTALDH1A1TSHRTDP1
SCHEMBL6154085 0.76 CYP2D6 (0.40)
SCHEMBL1955479 0.76 LMNA (0.39) LMNAKDM4EUSP2ALDH1A1MMP9
Acetone SCHEMBL10804173 0.75 LMNA (0.37) LMNAKDM4EUSP2ALDH1A1MMP9
SCHEMBL23829968 0.75 PGD (0.35) LMNAKDM4EUSP2ALDH1A1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0643689-B1 IMPROVED PROCESS FOR THE SYNTHESIS OF (5R)-1,1-DIMETHYLETHYL 6-CYANO-5-HYDROXY-3-OXO-HEXANOATE WARNER LAMBERT CO (US) 1998-12-30 EP claimed
EP-0643689-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF (5R)-1,1-DIMETHYLETHYL 6-CYANO-5-HYDROXY-3-OXO-HEXANOATE WARNER-LAMBERT COMPANY (US) 1995-03-22 EP claimed
WO-1993007115-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF (5R)-1,1-DIMETHYLETHYL 6-CYANO-5-HYDROXY-3-OXO-HEXANOATE WARNER-LAMBERT COMPANY (US) 1993-04-15 WO claimed
US-5155251-A Process for the synthesis of (5R)-1,1-dimethylethyl-6-cyano-5-hydroxy-3-oxo-hexanoate WARNER-LAMBERT COMPANY (US) 1992-10-13 US claimed
EP-0430096-B1 Process for the production of 3,4-epoxybutyrate and intermediate therefor KANEGAFUCHI CHEMICAL IND (JP) 1994-03-02 EP disclosed
US-5079382-A PROCESS FOR THE PRODUCTION OF 3,4-EPOXYBUTYRATE AND INTERMEDIATE THEREFOR KANEGAFUCHI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-01-07 US disclosed
EP-0430096-A2 Process for the production of 3,4-epoxybutyrate and intermediate therefor Kanegafuchi Chemical Industry Co., Ltd. (JP) 1991-06-05 EP disclosed