SCHEMBL6460144

SCHEMBL6460144

O=S(=O)([O-])CCCOc1ccccc1O.[Na+]

nearest known ligand 0.56

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 1/20 0.37
CA2 known ✓ P00918 1/20 0.37
GAA P10253 4/20 0.56
JAK2 O60674 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
APP P05067 1/20 0.39
PABPC1 P11940 1/20 0.39
EIF4H Q15056 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 2/20 0.38
HSD11B1 P28845 1/20 0.38
HSD17B3 P37058 1/20 0.38
ATM Q13315 1/20 0.38
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL10884904 0.81 GAA (0.52) GAAJAK2LMNAMAPTDRD2
SCHEMBL9294258 0.80 CYP1A2 (0.54) GAALMNAMAPTAPPPABPC1
SCHEMBL11504648 0.80 L3MBTL1 (0.53) LMNAPABPC1EIF4HCTDSP1SMN1; SMN2
SCHEMBL10356966 0.79 ALDH1A1 (0.62) GAALMNAMAPTPABPC1EIF4H
SCHEMBL6454683 0.78 SMN1; SMN2 (0.39) GAALMNAMAPTSMN1; SMN2HPGD
SCHEMBL9045649 0.78 GAA (0.82) GAAJAK2LMNAMAPTDRD2
SCHEMBL5621969 0.78 GAA (0.82) GAAJAK2LMNAMAPTDRD2
Zinc Ion SCHEMBL2488066 0.77 GAA (0.52) GAAJAK2LMNAMAPTDRD2
Potassium Ion SCHEMBL21242 0.77 GAA (0.52) GAAJAK2LMNAMAPTDRD2
Potassium Ion SCHEMBL21184466 0.77 ALDH1A1 (0.44) GAAJAK2LMNAMAPTPABPC1

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-20050142412-A1 Proton conducting electrolyte and fuel cell using the same SAMSUNG SDI CO., LTD. 2005-06-30 US disclosed