SCHEMBL6958875

SCHEMBL6958875

CC(C)CCS(=O)(=O)[O-].CC(C)CCS(=O)(=O)[O-].[Mg+2]

nearest known ligand 0.43

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 2/20 0.43
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
BBOX1 O75936 3/20 0.37
CA1 P00915 2/20 0.35
GMNN O75496 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
THPO P40225 1/20 0.35
HBB P68871 1/20 0.35
PMP22 Q01453 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.30
FUT7 Q11130 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
SCHEMBL18008285 0.94 ENPEP (0.48) ENPEPKDM4EMAPTALOX15BBOX1
Potassium Ion SCHEMBL18008001 0.94 ENPEP (0.43) ENPEPKDM4EMAPTALOX15BBOX1
Lithium Ion SCHEMBL18008794 0.94 ENPEP (0.43) ENPEPKDM4EMAPTALOX15BBOX1
SCHEMBL7582594 0.94 ENPEP (0.43) ENPEPKDM4EMAPTALOX15BBOX1
Tetrylammonium SCHEMBL18008216 0.84 BBOX1 (0.41) ENPEPKDM4EMAPTALOX15BBOX1
SCHEMBL966470 0.79 ENPEP (0.52) ENPEPKDM4EMAPTALOX15BBOX1
Potassium Ion SCHEMBL18008837 0.79 ENPEP (0.47) ENPEPKDM4EMAPTALOX15BBOX1
Lithium Ion SCHEMBL18008417 0.79 ENPEP (0.47) ENPEPKDM4EMAPTALOX15BBOX1
Potassium Ion SCHEMBL18008684 0.77 BBOX1 (0.43) ENPEPKDM4EMAPTALOX15BBOX1
Lithium Ion SCHEMBL18007911 0.77 BBOX1 (0.43) ENPEPKDM4EMAPTALOX15BBOX1

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-0974582-B1 Process for the preparation of 4-substituted azetidinone derivatives TAKASAGO PERFUMERY CO LTD (JP) 2003-02-12 EP claimed