SCHEMBL8924040

SCHEMBL8924040

CCCCC(C)COS(=O)(=O)[O-].[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 20)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 12/20 0.38
CA1 known ✓ P00915 10/20 0.38
CA12 known ✓ O43570 2/20 0.33
CA4 known ✓ P22748 1/20 0.31
RECQL P46063 2/20 0.50
GLA P06280 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
EPHX2 P34913 1/20 0.50
BLM P54132 1/20 0.50
CA9 Q16790 7/20 0.38
CA7 P43166 2/20 0.33
CA14 Q9ULX7 2/20 0.33
TP53 P04637 1/20 0.33
FUT7 Q11130 1/20 0.33
NR1I2 O75469 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
CYP3A4 P08684 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL11644922 0.93 RECQL (0.56) RECQLGLAHPGDTSHRMAPK1
SCHEMBL28188298 0.93 RECQL (0.56) RECQLGLAHPGDTSHRMAPK1
SCHEMBL7779862 0.90 CA2 (0.42) RECQLGLAHPGDTSHRMAPK1
Potassium Ion SCHEMBL11153218 0.89 RECQL (0.52) RECQLGLAHPGDTSHRMAPK1
SCHEMBL27483667 0.87 RECQL (0.46) RECQLGLAHPGDTSHRMAPK1
SCHEMBL6158912 0.80 RECQL (0.70) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4206319 0.80 CA1 (0.40) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4206313 0.80 CA1 (0.40) RECQLGLAHPGDTSHRMAPK1
SCHEMBL6651576 0.79 RECQL (0.48) RECQLGLAHPGDTSHRMAPK1
Ethasulfuric Acid SCHEMBL30312334 0.79 CYP3A4 (0.50) RECQLGLAHPGDTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5688959-A MULTICOLOR DYE IMAGE AND INFRARED RADIATION ABSORBER WITH 1-HYDROXY-2-N-(5-ALKYLTHIAZOL-2-YL)NAPHTHAMIDE COUPLERS FORMING QUINONE IMINE DYES AGFA-GEVAERT, N.V. (BE) 1997-11-18 US disclosed
EP-0483416-B1 Method of making aqueous loaded latex compositions AGFA GEVAERT NV (BE) 1995-03-22 EP disclosed
US-5270354-A Method of making aqueous loaded latex compositions AGFA-GEVAERT, N.V. (BE) 1993-12-14 US disclosed
EP-0483416-A1 Method of making aqueous loaded latex compositions AGFA-GEVAERT N.V. (BE) 1992-05-06 EP disclosed
EP-0268704-B1 COLOUR PHOTOGRAHIC MOTION PICTURE ELEMENT AGFA-GEVAERT N.V. (BE) 1991-09-11 EP disclosed
US-5030544-A 1-hydroxy-2-n(5-alkyl thiazol 2-yl) naphthamides, form quinone-imine dyes AGFA-GEVAERT, N.V. (BE) 1991-07-09 US disclosed
US-4839267-A 1-HYDROXY-2-N-/5-BALLESTED-THIAZOL-2-YL/-NAPHTHAMIDE COUPLER DISPERSED WITH HYDROCARBON OIL; FORMING QUINONE-IMINE DYES AGFA-GEVAERT, N.V. (BE) 1989-06-13 US disclosed
EP-0268704-A1 Colour photograhic motion picture element AGFA-GEVAERT N.V. (BE) 1988-06-01 EP disclosed
EP-0176628-B1 PHOTOGRAPHIC COLOUR ELEMENTS AGFA-GEVAERT N.V. (BE) 1987-11-25 EP disclosed
EP-0084692-B1 METHOD OF DISPERSING PHOTOGRAPHIC ADJUVANTS IN A HYDROPHILIC COLLOID COMPOSITION AGFA-GEVAERT N.V. (BE) 1986-06-11 EP disclosed
EP-0176628-A1 Photographic colour elements AGFA-GEVAERT N.V. (BE) 1986-04-09 EP disclosed
US-4430421-A USING IHYDROXYMETHYL(5,2,1,0(2,6))TRICYCLODECANE, OR CARBOXYLIC, PHOSPHORIC, OR PHOSPHONIC DIESTERS THEREOF AGFA-GEVAERT, N.V. (BE) 1984-02-07 US disclosed
US-4430422-A USING 1,3-DIALKYLOXY-2-PROPANOLS AND CARBOXYLIC, PHOSPHORIC OR PHOSPHONIC ESTERS THEREOF AGFA-GEVAERT, N.V. (BE) 1984-02-07 US disclosed
EP-0084694-A1 Method of dispersing photographic adjuvants in hydrophilic colloid compositions AGFA-GEVAERT N.V. (BE) 1983-08-03 EP disclosed
EP-0084692-A2 Method of dispersing photographic adjuvants in a hydrophilic colloid composition AGFA-GEVAERT N.V. (BE) 1983-08-03 EP disclosed