SCHEMBL31323237

SCHEMBL31323237

COc1c2cc(S(=O)(=O)[O-])cc1Cc1cc(S(=O)(=O)[O-])cc(c1OC)Cc1cc(S(=O)(=O)[O-])cc(c1OC)Cc1cc(S(=O)(=O)[O-])cc(c1OC)C2.[Na+].[Na+].[Na+].[Na+]

nearest known ligand 0.58

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
▸ CA12 known ✓ O43570 1/20 0.34
▸ CA1 known ✓ P00915 1/20 0.34
▸ CA2 known ✓ P00918 1/20 0.34
▸ PTGS2 known ✓ P35354 2/20 0.32
▸ PTGS1 known ✓ P23219 1/20 0.31
▸ DUSP5 Q16690 2/20 0.58
▸ DUSP6 Q16828 1/20 0.58
▸ LMNA P02545 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PTPN1 P18031 2/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MAPT P10636 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ING2 Q9H160 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL5082244 0.74 PTGS2 (0.45) DUSP5DUSP6LMNATDP1PTPN1
SCHEMBL30416771 0.74 DUSP5 (1.00) DUSP5DUSP6LMNATDP1PTPN1
SCHEMBL28623672 0.71 DUSP5 (0.61) DUSP5DUSP6LMNATDP1PTPN1
SCHEMBL28561535 0.71 ALDH1A1 (0.50) DUSP5DUSP6LMNATDP1PTPN1
Potassium Ion SCHEMBL28567117 0.71 ALDH1A1 (0.50) LMNATDP1CA1CA2PKM
SCHEMBL9786187 0.69 DUSP5 (0.59) DUSP5DUSP6LMNATDP1KMT2A
Potassium Ion SCHEMBL2956793 0.69 KMT2A (0.58) DUSP5DUSP6LMNATDP1KMT2A
Potassium Ion SCHEMBL9220931 0.68 PTPN1 (0.50) DUSP5DUSP6LMNATDP1PTPN1
SCHEMBL124132 0.68 DUSP5 (0.54) DUSP5DUSP6LMNATDP1PTPN1
SCHEMBL29664952 0.68 DUSP5 (0.85) DUSP5DUSP6LMNATDP1PTPN1

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
WO-2025014777-A1 INHIBITION OF CLIC1 TO TREAT OBESITY AND HEART FAILURE CLICBIO, INC. (US) 2025-01-16 — — WO claimed
WO-2025014777-A1 INHIBITION OF CLIC1 TO TREAT OBESITY AND HEART FAILURE CLICBIO, INC. (US) 2025-01-16 — — WO disclosed
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