SCHEMBL8905599

SCHEMBL8905599

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

nearest known ligand 0.32

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 2)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.32
CPT1A P50416 1/20 0.32

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
SCHEMBL18076015 0.98 CPT2 (0.31) CPT2CPT1A
Water SCHEMBL9444829 0.97 CPT2 (0.30) CPT2CPT1A
SCHEMBL6261232 0.96 CA4 (0.32) CPT2CPT1A
SCHEMBL7525482 0.96 CPT2 (0.32) CPT2CPT1A
SCHEMBL7802184 0.96 CPT2 (0.32) CPT2CPT1A
SCHEMBL1389543 0.96 CA2 (0.33) CPT2CPT1A
SCHEMBL6923114 0.96 CPT2 (0.32) CPT2CPT1A
SCHEMBL11131358 0.96 CPT2 (0.32) CPT2CPT1A
Silver SCHEMBL3355297 0.96 CPT2 (0.32) CPT2CPT1A
Potassium Ion SCHEMBL1247405 0.96 CPT2 (0.32) CPT2CPT1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5646199-A WATER SOLUBLE PHENOLIC RESIN, ORGANIC ESTER COMPOUND, AND METALLIC ELEMENT OR COMPOUND KAO CORPORATION (JP) 1997-07-08 US disclosed
US-4313843-A CHEMILUMINESCENT HAVING GOOD STORAGE STABILITY AMERICAN CYANAMID COMPANY (US) 1982-02-02 US disclosed