SCHEMBL29580776

SCHEMBL29580776

COP(=O)([O-])OC(=O)c1cc(C(=O)OP(=O)([O-])OC)cc(C(=O)OP(=O)([O-])OC)c1.[Na+].[Na+].[Na+]

nearest known ligand 0.39

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 3/20 0.36
CA12 known ✓ O43570 1/20 0.36
CA2 known ✓ P00918 1/20 0.36
XDH known ✓ P47989 1/20 0.35
CA4 known ✓ P22748 2/20 0.32
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KDM4E B2RXH2 5/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
NFKB1 P19838 1/20 0.35
GFER P55789 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
FUT7 Q11130 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 2/20 0.34

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
SCHEMBL143011 0.75 CA12 (0.39) CA1CA12CA2CA7CA9
SCHEMBL30935736 0.72 CA1 (0.58) CA1CA2KDM4ELMNAL3MBTL1
SCHEMBL9339018 0.71 CA12 (0.48) CA1CA12CA2CA7CA9
SCHEMBL5586451 0.69 LMNA (0.52) CA1CA12CA2CA9LMNA
SCHEMBL29249932 0.68 POLB (0.53) CA1CA12CA2CA7CA9
SCHEMBL28256201 0.68 POLB (0.53) CA1CA12CA2CA7CA9
SCHEMBL9815549 0.67 PEPD (0.52) CA1CA4CA5ACA5B
Potassium Ion SCHEMBL29912532 0.67 CA12 (0.48) CA1CA12CA2CA7CA9
SCHEMBL4408905 0.67
SCHEMBL28993638 0.65 TAS1R3 (0.37) KDM4ELMNAL3MBTL1TDP1ALDH1A1

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
US-12344123-B2 Cooling system of power storage device TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2025-07-01 US disclosed
CN-118428568-A System and method for planning large-scale city custom-made traffic passenger line 南京交通职业技术学院 2024-08-02 CN disclosed
CN-111987901-B Driving device 株式会社电装 2024-05-31 CN disclosed
US-20220388427-A1 COOLING SYSTEM OF POWER STORAGE DEVICE TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2022-12-08 US disclosed
CN-115431752-A Cooling system for power storage device 丰田自动车株式会社 2022-12-06 CN disclosed
CN-114127277-A Protease substrates and polypeptides comprising protease cleavage sequences 中外制药株式会社 2022-03-01 CN disclosed