SCHEMBL3364128

SCHEMBL3364128

O=S(=O)([O-])CCOc1ccccc1.[Na+]

nearest known ligand 0.55

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 0.45
CA1 known ✓ P00915 1/20 0.45
CA2 known ✓ P00918 1/20 0.45
KCNA3 P22001 1/20 0.52
ALDH1A1 P00352 3/20 0.49
PABPC1 P11940 1/20 0.47
EIF4H Q15056 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
RECQL P46063 1/20 0.47
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
PKM P14618 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MGLL Q99685 1/20 0.42

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
SCHEMBL28347602 0.90 KCNA3 (0.56) KCNA3ALDH1A1PABPC1EIF4HCTDSP1
SCHEMBL12468573 0.90 CA12 (0.46) ALDH1A1RECQLCA12CA1CA2
SCHEMBL1172038 0.89 KCNA3 (0.59) KCNA3ALDH1A1PABPC1EIF4HCTDSP1
Potassium Ion SCHEMBL10575515 0.86 KCNA3 (0.56) KCNA3ALDH1A1PABPC1EIF4HCTDSP1
Tetrabuthylammonium SCHEMBL3364690 0.81 MLNR (0.51) KCNA3ALDH1A1CA12CA1CA2
SCHEMBL11204080 0.81 LTA4H (0.46) ALDH1A1PKMDRD2DRD4DRD3
SCHEMBL5583897 0.79 CA12 (0.48) KCNA3ALDH1A1PABPC1EIF4HCTDSP1
SCHEMBL28171938 0.79 KCNA3 (0.44) KCNA3ALDH1A1PABPC1EIF4HCTDSP1
SCHEMBL10348203 0.78 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA7
SCHEMBL5583895 0.78 MGLL (0.47) KCNA3ALDH1A1PABPC1EIF4HCTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320785-B1 OXIME DERIVATIVES AND THE USE THEREOF AS LATENT ACIDS BASF SE (DE) 2010-02-17 EP disclosed
US-7244544-B2 Oxime derivatives and the use thereof as latent acids CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-07-17 US disclosed
US-20060068325-A1 Oxime derivatives and the use thereof as latent acids YAMATO HITOSHI 2006-03-30 US disclosed
US-6986981-B2 Oxime derivatives and the use thereof as latent acids CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-01-17 US disclosed
US-20040002007-A1 Oxime derivatives and the use thereof as latent acids CIBA SPECIALTY CHEMICALS CORP. 2004-01-01 US disclosed
EP-1320785-A2 OXIME DERIVATIVES AND THE USE THEREOF AS LATENT ACIDS Ciba SC Holding AG (CH) 2003-06-25 EP disclosed
WO-2002025376-A2 OXIME DERIVATIVES AND THE USE THEREOF AS LATENT ACIDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-03-28 WO disclosed