SCHEMBL28599732

SCHEMBL28599732

O=C([O-])Oc1ccccc1.O=C([O-])Oc1ccccc1.[Na+].[Na+]

nearest known ligand 0.52

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 16)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 1/20 0.48
CA4 known ✓ P22748 1/20 0.48
ALOX5 known ✓ P09917 1/20 0.43
TDP1 Q9NUW8 2/20 0.48
ATM Q13315 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALOX15 P16050 2/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
NSD2 O96028 1/20 0.44
ELANE P08246 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP19A1 P11511 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL10884582 1.00 TDP1 (0.48) TDP1ATML3MBTL1CA2CA4
SCHEMBL31079921 0.95 TDP1 (0.48) TDP1ATML3MBTL1CA2CA4
SCHEMBL7873624 0.95 TDP1 (0.48) TDP1ATML3MBTL1CA2CA4
Potassium Ion SCHEMBL10359784 0.95 TDP1 (0.48) TDP1ATML3MBTL1CA2CA4
SCHEMBL29633803 0.95 TDP1 (0.48) TDP1ATML3MBTL1CA2CA4
Lithium Ion SCHEMBL30979174 0.95 TDP1 (0.48) TDP1ATML3MBTL1CA2CA4
SCHEMBL29093692 0.95 TDP1 (0.48) TDP1ATML3MBTL1CA2CA4
Ethylene SCHEMBL11136085 0.91 TDP1 (0.45) TDP1ATML3MBTL1CA2CA4
SCHEMBL8986511 0.91 TDP1 (0.45) TDP1ATML3MBTL1ALOX15HPGD
Tetramethylammonium Ion SCHEMBL10643914 0.89 ATM (0.44) TDP1ATML3MBTL1ALOX15HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107897762-B Seaweed fish sausage and preparation method thereof 福建农林大学 2021-06-29 CN disclosed
CN-108142861-B Taro and fish sausage and preparation method thereof 福建农林大学 2021-06-25 CN disclosed