SCHEMBL11523879

SCHEMBL11523879

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

nearest known ligand 0.43

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 7)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 1/20 0.32
LMNA P02545 1/20 0.37
TSSK1B Q9BXA7 1/20 0.32
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32

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
Potassium Ion SCHEMBL11527857 0.95 LMNA (0.32) LMNATSHR
Cadaverine Tartrate SCHEMBL629998 0.74 LMNA (0.48) LMNACA4TSHRMEN1KMT2A
Cadaverine Tartrate SCHEMBL27623304 0.74 LMNA (0.39) LMNATSSK1BCA4TSHRMEN1
Cadaverine Tartrate SCHEMBL12098218 0.74 LMNA (0.39) LMNATSSK1BCA4TSHRMEN1
SCHEMBL7052104 0.73 CA2 (0.32) TSHRMEN1ALDH1A1KMT2A
SCHEMBL11588594 0.73 CA1 (0.30) TSHRMEN1ALDH1A1KMT2A
Cadaverine Tartrate SCHEMBL27446118 0.73 LMNA (0.42) LMNACA4TSHRMEN1ALDH1A1
Cadaverine Tartrate SCHEMBL29108903 0.73 LMNA (0.37) LMNACA4TSHRMEN1ALDH1A1
Cadaverine Tartrate SCHEMBL28586003 0.72 LMNA (0.38) LMNACA4TSHRMEN1ALDH1A1
Cadaverine Tartrate SCHEMBL27572301 0.72 TSHR (0.47) LMNACA4TSHRMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4167561-A ALKALI METAL A-HYDROXY-B-SULFOSUCCINATES LEVER BROTHERS COMPANY (US) 1979-09-11 US disclosed
US-RE29576-E Sulfosuccinate derivatives as detergent builders LEVER BROTHERS COMPANY (US) 1978-03-14 US disclosed
US-4021376-A CARBOXYLATES LEVER BROTHERS COMPANY (US) 1977-05-03 US disclosed
US-3989700-A Sulfosuccinate derivatives as detergent builders LEVER BROTHERS COMPANY (US) 1976-11-02 US disclosed
US-3987043-A SULFOSUCCINATE DERIVATIVES AS DETERGENT BUILDERS LEVER BROTHERS COMPANY (US) 1976-10-19 US disclosed
US-3984408-A Sulfosuccinate derivatives as detergent builders LEVER BROTHERS COMPANY (US) 1976-10-05 US disclosed
US-3976642-A Sulfosuccinate derivatives as detergent builders LEVER BROTHERS COMPANY (US) 1976-08-24 US disclosed
US-3970653-A Sulfosuccinate derivatives as detergent builders LEVER BROTHERS COMPANY (US) 1976-07-20 US disclosed
US-3968110-A PHENYL LEVER BROTHERS COMPANY (US) 1976-07-06 US disclosed
US-3957775-A SULFOSUCCINATE DERIVATIVES AS DETERGENT BUILDERS LEVER BROTHERS COMPANY (US) 1976-05-18 US disclosed
US-3950331-A SULFOSUCCINATE DERIVATIVES AS DETERGENT BUILDERS LEVER BROTHERS COMPANY (US) 1976-04-13 US disclosed
US-3936448-A DETERGENTS, BUILDERS LEVER BROTHERS COMPANY (US) 1976-02-03 US disclosed
US-3935206-A Sulfosuccinate derivatives as detergent builders LEVER BROTHERS COMPANY (US) 1976-01-27 US disclosed