SCHEMBL7546077

SCHEMBL7546077

CCCCCCCCCCCCc1ccccc1.CCCCCCCCCCCCc1ccccc1.O=C([O-])S(=O)(=O)[O-].[Na+].[Na+]

nearest known ligand 0.53

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
CA2 known ✓ P00918 1/20 0.49
THRA known ✓ P10827 1/20 0.48
THRB known ✓ P10828 1/20 0.48
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
ALDH1A1 P00352 2/20 0.50
KCNH2 Q12809 1/20 0.50
RARB P10826 4/20 0.49
MAPT P10636 2/20 0.49
HAO1 Q9UJM8 1/20 0.49
MEN1 O00255 1/20 0.49

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
Sulfuric Acid SCHEMBL1350859 0.89 MEN1 (0.54) ALDH1A1KCNH2RARBHAO1MEN1
Bicarbonate SCHEMBL20791903 0.89 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
Sulfuric Acid SCHEMBL544764 0.89 KCNH2 (0.57) KCNH2MEN1KMT2ACA2CETP
Sulfuric Acid SCHEMBL10969631 0.89 KCNH2 (0.57) KCNH2MEN1KMT2ACA2CETP
Sulfuric Acid SCHEMBL17003947 0.89 KCNH2 (0.57) KCNH2MEN1KMT2ACA2CETP
Sulfuric Acid SCHEMBL15752866 0.89 KCNH2 (0.57) KCNH2MEN1KMT2ACA2CETP
Sulfuric Acid SCHEMBL2347222 0.89 KCNH2 (0.57) KCNH2MEN1KMT2ACA2CETP
Sulfuric Acid SCHEMBL64908 0.89 KCNH2 (0.57) KCNH2MEN1KMT2ACA2CETP
Sulfuric Acid SCHEMBL17003825 0.89 KCNH2 (0.57) KCNH2MEN1KMT2ACA2CETP
Sulfuric Acid SCHEMBL11618606 0.89 KCNH2 (0.57) KCNH2MEN1KMT2ACA2CETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0887392-B1 SILICONE EMULSION COATING COMPOSITION AND PROCESSES FOR THE PREPARATION THEREOF MATSUSHITA ELECTRIC WORKS LTD (JP) 2002-06-12 EP disclosed
US-6025077-A COATED ARTICLES WITH SILICONE EMULSIONS, POLYSTYRENE, SILICA, EMULSIFIERS AND WATER MATSUSHITA ELECTRIC WORKS, LTD. (JP) 2000-02-15 US disclosed
EP-0887392-A1 SILICONE EMULSION COATING COMPOSITION AND PROCESSES FOR THE PREPARATION THEREOF MATSUSHITA ELECTRIC WORKS, LTD. (JP) 1998-12-30 EP disclosed