SCHEMBL2211526

SCHEMBL2211526

CCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCC.CCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCC.[Na+].[Na+]

nearest known ligand 0.72

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 20)

geneUniProtsupporting neighboursconfidence
ADORA3 known ✓ P0DMS8 1/20 0.72
AKT1 P31749 3/20 0.72
CDC25A P30304 2/20 0.72
LMNA P02545 2/20 0.72
ESR1 P03372 1/20 0.72
AGTR1 P30556 1/20 0.72
ADRA1A P35348 1/20 0.72
KCNH2 Q12809 1/20 0.72
LPAR3 Q9UBY5 6/20 0.59
LPAR2 Q9HBW0 5/20 0.59
LPAR1 Q92633 2/20 0.59
TERT O14746 1/20 0.54
UCHL3 P15374 1/20 0.54
MAPK14 Q16539 1/20 0.54
MAPK1 P28482 2/20 0.50
BLM P54132 2/20 0.50
PRKD3 O94806 1/20 0.50
PRKCG P05129 1/20 0.50
PRKCB P05771 1/20 0.50
PRKCA P17252 1/20 0.50

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
SCHEMBL28355527 1.00 AKT1 (0.72) AKT1CDC25ALMNAESR1ADORA3
SCHEMBL28355399 1.00 AKT1 (0.72) AKT1CDC25ALMNAESR1ADORA3
SCHEMBL28355525 1.00 AKT1 (0.72) AKT1CDC25ALMNAESR1ADORA3
SCHEMBL10435761 1.00 AKT1 (0.72) AKT1CDC25ALMNAESR1ADORA3
SCHEMBL4071722 1.00 AKT1 (0.72) AKT1CDC25ALMNAESR1ADORA3
SCHEMBL6869674 1.00 AKT1 (0.72) AKT1CDC25ALMNAESR1ADORA3
SCHEMBL1005430 1.00 AKT1 (0.72) AKT1CDC25ALMNAESR1ADORA3
SCHEMBL769555 1.00 AKT1 (0.72) AKT1CDC25ALMNAESR1ADORA3
SCHEMBL596158 1.00 AKT1 (0.72) AKT1CDC25ALMNAESR1ADORA3
SCHEMBL29067116 1.00 AKT1 (0.72) AKT1CDC25ALMNAESR1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553126-B1 STRETCHED RESIN FILM AND LABEL COMPRISING THE SAME YUPO CORP (JP) 2013-12-25 EP disclosed
US-7981503-B2 Good liquid absorbability with good seepage resistance; , dries within a short period of time and attains good adhesiveness when stuck to objects with a water-base adhesive YUPO CORPORATION (JP) 2011-07-19 US disclosed
US-20050186371-A1 Stretched resin film and label comprising the same YUPO CORPORATION (JP) 2005-08-25 US disclosed
EP-1553126-A1 STRETCHED RESIN FILM AND LABEL COMPRISING THE SAME Yupo Corporation (JP) 2005-07-13 EP disclosed