SCHEMBL11501996

SCHEMBL11501996

O=C([O-])[C@@](O)([Bi])[C@@H](O)[C@H](O)[C@H](O)CO.[Na+]

nearest known ligand 0.47

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 7)

geneUniProtsupporting neighboursconfidence
PDE4A known ✓ P27815 1/20 0.36
CA4 known ✓ P22748 1/20 0.30
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
USP2 O75604 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 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
Potassium Ion SCHEMBL11501588 0.96 LMNA (0.42) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL8967965 0.80 LMNA (0.50) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL6668472 0.77 LMNA (0.47) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL8968603 0.74 LMNA (0.53) LMNAL3MBTL1PDE4ATDP1USP2
Zinc Ion SCHEMBL14920928 0.74 LMNA (0.44) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL11870178 0.74 LMNA (0.44) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL2771694 0.74 LMNA (0.40) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL4727419 0.74 LMNA (0.44) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL6813499 0.73 LMNA (0.42) LMNAL3MBTL1PDE4ATDP1USP2
Mannitol SCHEMBL27645017 0.71 LMNA (0.73) LMNAL3MBTL1PDE4ATDP1USP2

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-4162205-A Method of electroplating tin and alkaline electroplating bath therefor VULCAN MATERIALS COMPANY (US) 1979-07-24 US disclosed