SCHEMBL9518327

SCHEMBL9518327

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

nearest known ligand 0.37

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 6)

geneUniProtsupporting neighboursconfidence
CA4 P22748 2/20 0.35
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
FAAH O00519 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
SCHEMBL4334244 0.85 MGAM (0.46) MGAMGAASIMGAM2FAAH
SCHEMBL4334241 0.79 MGAM (0.36) MGAMGAASIMGAM2FAAH
SCHEMBL2885490 0.79 GAA (0.46) MGAMGAASIMGAM2FAAH
SCHEMBL9518326 0.78 MGAM (0.34) MGAMGAASIMGAM2FAAH
SCHEMBL12296672 0.74 NAAA (0.50) MGAMGAASIMGAM2
SCHEMBL8830943 0.72 HTR2C (0.35)
SCHEMBL3200441 0.72 CA4 (0.43) CA4MGAMGAASIMGAM2
SCHEMBL1555575 0.72 CYP2C19 (0.54) FAAH
SCHEMBL3190793 0.72 MGAM (0.42) CA4MGAMGAASIMGAM2
Lithium Ion SCHEMBL3193348 0.72 MGAM (0.42) CA4MGAMGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0516729-B1 N-PHENYL N-ALKOXYCARBONYLALKYL GLYCINAMIDES, PREPARATION METHOD AND DRUGS CONTAINING THEM RHONE POULENC RORER SA (FR) 1993-12-29 EP disclosed
EP-0397556-B1 N-Phenyl amides, methods for their preparation and medicaments containing them RHONE POULENC SANTE (FR) 1993-10-20 EP disclosed
EP-0300657-B1 4-SUBSTITUTED 3-OXOBUTANOATE ESTER DERIVATIVES MERCK & CO. INC. (US) 1993-03-31 EP disclosed
EP-0300249-B1 7-[1H-pyrrol-3-yl]-substituted 3,5-dihydroxy-heptane acids, their corresponding delta-lactones and salts, processes for their manufacture, their use as medicines, pharmaceutical preparations and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1993-02-03 EP disclosed
EP-0397556-A1 N-Phenyl amides, methods for their preparation and medicaments containing them RHONE-POULENC SANTE (FR) 1990-11-14 EP disclosed
EP-0300657-A2 4-substituted 3-oxobutanoate ester derivatives MERCK & CO. INC. (US) 1989-01-25 EP disclosed