SCHEMBL8445269

SCHEMBL8445269

CCC(C(C(=O)[O-])(C(=O)[O-])C(=O)[O-])P(=O)(O)O.[Na+].[Na+].[Na+]

nearest known ligand 0.37

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
CA1 known ✓ P00915 2/20 0.32
CA2 known ✓ P00918 2/20 0.32
CA12 known ✓ O43570 1/20 0.32
FDPS known ✓ P14324 4/20 0.32
LAP3 P28838 1/20 0.37
LMNA P02545 1/20 0.33
MMP1 P03956 3/20 0.32
MMP2 P08253 3/20 0.32
MMP8 P22894 1/20 0.32
CA9 Q16790 1/20 0.32
MMP3 P08254 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GGPS1 O95749 1/20 0.31
FFAR3 O14843 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 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
SCHEMBL29516725 0.96 LAP3 (0.37) LAP3MMP1MMP2CA1CA2
Potassium Ion SCHEMBL29516569 0.96 LAP3 (0.37) LAP3MMP1MMP2CA1CA2
SCHEMBL406847 0.78 LAP3 (0.39) LAP3LMNAMMP1MMP2CA1
SCHEMBL28734393 0.77 LAP3 (0.38) LAP3LMNAMMP1MMP2CA1
SCHEMBL30564808 0.77 LAP3 (0.38) LAP3LMNAMMP1MMP2CA1
SCHEMBL8445268 0.77 LAP3 (0.38) LAP3LMNAMMP1MMP2CA1
Calcium SCHEMBL29918129 0.77 LAP3 (0.38) LAP3LMNAMMP1MMP2CA1
SCHEMBL16270936 0.70 LAP3 (0.44) LAP3LMNAMMP1MMP2CA1
SCHEMBL22588849 0.69 LAP3 (0.42) LAP3MMP1MMP2CA1CA2
SCHEMBL10902603 0.69 LAP3 (0.42) LAP3MMP1MMP2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114349138-A Scale-inhibiting antibacterial material and preparation method thereof 佛山市芯耀环保科技有限公司 2022-04-15 CN claimed
JP-11080790-A None JP disclosed
EP-3882346-B1 NOVEL METALLOPROTEASES DANISCO US INC (US) 2025-10-01 EP disclosed
US-12091556-B2 Stir-in titanium dioxide pigment composition TRONOX LLC (US) 2024-09-17 US disclosed
EP-4159854-A1 NOVEL METALLOPROTEASES Danisco US Inc (US) 2023-04-05 EP disclosed
CN-114477477-B Water treatment descaling reagent and use method and application thereof 南京飞腾正大环保科技有限公司 2023-03-07 CN disclosed
EP-3752565-B1 STIR-IN TITANIUM DIOXIDE PIGMENT COMPOSITION TRONOX LLC (US) 2023-02-15 EP disclosed
CN-115069217-A Method for preparing carbon fiber composite material and filter element 佛山市芯耀环保科技有限公司 2022-09-20 CN disclosed
CN-115057542-A Method for preparing carbon fiber composite material and filter element 佛山市芯耀环保科技有限公司 2022-09-16 CN disclosed
EP-2914720-B1 COMPOSITIONS AND METHODS COMPRISING THERMOLYSIN PROTEASE VARIANTS DANISCO US INC (US) 2022-08-31 EP disclosed
EP-3636662-B1 NOVEL METALLOPROTEASES DANISCO US INC (US) 2022-07-13 EP disclosed
CN-111836860-B Stirred doped titanium dioxide pigment compositions 特罗诺克斯有限公司 2022-06-17 CN disclosed
CN-114477477-A Water treatment descaling reagent and use method and application thereof 南京飞腾正大环保科技有限公司 2022-05-13 CN disclosed
CN-114349138-A Scale-inhibiting antibacterial material and preparation method thereof 佛山市芯耀环保科技有限公司 2022-04-15 CN disclosed
CN-114349106-A Scale inhibition antibacterial activated carbon rod 佛山市芯耀环保科技有限公司 2022-04-15 CN disclosed
JP-H1180790-A DETERGENT FOR WATER SUPPLY ROLLER IN LITHO PRINTING MACHINE FUJI PHOTO FILM CO LTD 1999-03-26 JP disclosed