SCHEMBL8585503

SCHEMBL8585503

CC(C)CCCCCCCOC(=O)CC(C(=O)OCCCCCCCC(C)C)S(=O)(=O)[O-].CC(C)CCCCCCCOC(=O)CC(C(=O)OCCCCCCCC(C)C)S(=O)(=O)[O-].[Ca+2]

nearest known ligand 0.38

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 8)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.35
NAAA Q02083 1/20 0.33
RARB P10826 1/20 0.33
FUT7 Q11130 1/20 0.33
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL14957008 0.97 FUT7 (0.35) RECQLNAAARARBFUT7MAPT
Potassium Ion SCHEMBL31047241 0.97 RECQL (0.35) RECQLNAAARARBFUT7MAPT
SCHEMBL6008566 0.97 FUT7 (0.35) RECQLNAAARARBFUT7MAPT
SCHEMBL9252479 0.97 FUT7 (0.35) RECQLNAAARARBFUT7MAPT
SCHEMBL313158 0.97 FUT7 (0.35) RECQLNAAARARBFUT7MAPT
Potassium Ion SCHEMBL17706821 0.97 RECQL (0.35) RECQLNAAARARBFUT7MAPT
SCHEMBL11051177 0.91 RECQL (0.37) RECQLFUT7MAPTMAPK1NPSR1
SCHEMBL19385406 0.87 FUT7 (0.35) RECQLNAAARARBFUT7
SCHEMBL790669 0.87 RECQL (0.47) RECQLNAAARARBMAPTMAPK1
SCHEMBL2686026 0.87 RECQL (0.47) RECQLNAAARARBMAPTMAPK1

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
WO-1998030650-A1 ANTISTATIC PEROXIDE COMPOSITION AKZO NOBEL N.V. (NL) 1998-07-16 WO disclosed