SCHEMBL38652123

SCHEMBL38652123

O=C([O-])c1ccc(C(=O)[O-])c(C(=O)[O-])c1.[Na+].[Na+].[Na+]

nearest known ligand 0.50

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 9)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 17/20 0.50
CA1 known ✓ P00915 16/20 0.50
CA4 known ✓ P22748 1/20 0.46
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
PARP1 P09874 1/20 0.40

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
SCHEMBL6261783 1.00 CA2 (0.50) CA2CA1CA4KDM4EPOLB
SCHEMBL9577247 0.95 CA2 (0.44) CA2CA1CA4KDM4EPOLB
SCHEMBL11770068 0.95 CA2 (0.44) CA2CA1CA4KDM4EPOLB
SCHEMBL1319199 0.95 CA2 (0.44) CA2CA1CA4KDM4EPOLB
Potassium Ion SCHEMBL410373 0.95 CA2 (0.44) CA2CA1CA4KDM4EPOLB
SCHEMBL12805092 0.95 CA2 (0.44) CA2CA1CA4KDM4EPOLB
Silver SCHEMBL11728702 0.95 CA2 (0.44) CA2CA1CA4KDM4EPOLB
SCHEMBL12805093 0.95 CA2 (0.44) CA2CA1CA4KDM4EPOLB
SCHEMBL8342989 0.95 CA2 (0.44) CA2CA1CA4KDM4EPOLB
SCHEMBL8416294 0.95 CA2 (0.44) CA2CA1CA4KDM4EPOLB

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
CN-122010681-A Preparation method of methallyl alcohol 宁波锦莱化工股份有限公司 2026-05-12 CN disclosed