SCHEMBL7052104

SCHEMBL7052104

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

nearest known ligand 0.42

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 1/20 0.32
CA1 known ✓ P00915 3/20 0.30
TSHR P16473 2/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP3A4 P08684 1/20 0.30
NFKB1 P19838 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL11523879 0.73 LMNA (0.37) TSHRMEN1ALDH1A1KMT2A
SCHEMBL11588594 0.71 CA1 (0.30) CA1TSHRMEN1ALDH1A1KMT2A
SCHEMBL11588124 0.71 CA2 (0.30) CA2
SCHEMBL11589714 0.71 SLC1A3 (0.30)
SCHEMBL11591400 0.71
L-Lactic Acid SCHEMBL9420938 0.69 TP53 (0.40) CA2CA1TSHRMEN1ALDH1A1
Potassium Ion SCHEMBL11527857 0.68 LMNA (0.32) TSHR
L-Lactic Acid SCHEMBL28265393 0.67 TP53 (0.38) CA2CA1TSHRMEN1ALDH1A1
L-Lactic Acid SCHEMBL3182661 0.67 TP53 (0.38) CA2CA1TSHRMEN1ALDH1A1
Silver SCHEMBL6735440 0.67 CA1 (0.40) CA2CA1TSHRCYP3A4NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015428-B1 SULFO-N-HYDROXY SUCCINIMIDE AND METHOD OF PREPARATION PIERCE CHEMICAL CO (US) 2003-05-02 EP disclosed
US-6407263-B1 CHEMICAL INTERMEDIATE FOR SUCCINIMIDE PIERCE CHEMICAL COMPANY 2002-06-18 US disclosed
EP-1015428-A1 SULFO-N-HYDROXY SUCCINIMIDE AND METHOD OF PREPARATION PIERCE CHEMICAL COMPANY (US) 2000-07-05 EP disclosed
US-5942628-A Method for the preparation of sulfo-N-hydroxy succinimade salts PIERCE CHEMICAL COMPANY (US) 1999-08-24 US disclosed
US-5892057-A Preparation of sulfo-N-hydroxysuccinimide salts PIERCE CHEMICAL COMPANY (US) 1999-04-06 US disclosed
WO-1999014192-A1 SULFO-N-HYDROXY SUCCINIMIDE AND METHOD OF PREPARATION PIERCE CHEMICAL COMPANY (US) 1999-03-25 WO disclosed