SCHEMBL4398018

SCHEMBL4398018

O=C([O-])CNCC(CC(=O)[O-])(CC(=O)[O-])NCC(=O)[O-].[Ca+2].[Ca+2]

nearest known ligand 0.31

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 1)

geneUniProtsupporting neighboursconfidence
CA4 P22748 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
SCHEMBL15251307 0.98 CA4 (0.34) CA4
SCHEMBL917184 0.96 CA4 (0.35) CA4
SCHEMBL6310261 0.96 CA4 (0.35) CA4
Potassium Ion SCHEMBL18173761 0.96 CA12 (0.32) CA4
SCHEMBL3765845 0.94 CA4 (0.30) CA4
Ammonia Solution, Strong SCHEMBL10493453 0.94 CA4 (0.34) CA4
SCHEMBL2319007 0.94 CA4 (0.39) CA4
SCHEMBL320905 0.85 CA4 (0.31) CA4
SCHEMBL1832568 0.81
Ethylene Glycol SCHEMBL9640310 0.80

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
US-20090304628-A1 STABILIZED PHARMACEUTICAL FORMULATIONS THAT CONTAIN THE INTERFERONS GAMMA AND ALPHA IN SYNERGISTIC PROPORTIONS CENTRO DE INGENIERIA GENETICA Y BIOTECNOLOGIA (CU) 2009-12-10 US claimed