SCHEMBL11344007

SCHEMBL11344007

CC(C)c1ccc(S(=O)(=O)[O-])c2ccccc12.[Na+]

nearest known ligand 0.44

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
THRB known ✓ P10828 2/20 0.44
CA12 known ✓ O43570 1/20 0.36
CA1 known ✓ P00915 1/20 0.36
CA2 known ✓ P00918 1/20 0.36
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NR4A1 P22736 1/20 0.37
PKLR P30613 2/20 0.37
P2RY11 Q96G91 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA9 Q16790 1/20 0.36
APP P05067 1/20 0.35
GLB1 P16278 1/20 0.35

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
SCHEMBL5482391 0.89 THRB (0.38) THRBMAPK1ALDH1A1CYP3A4HPGD
SCHEMBL16259538 0.81 L3MBTL1 (0.42) ALDH1A1HPGDTSHRL3MBTL1CA12
SCHEMBL7786711 0.80 NR4A1 (0.34) THRBCYP3A4HPGDTSHRNR4A1
SCHEMBL21364354 0.80 LDHA (0.56) HSD17B10L3MBTL1CA12CA1CA2
SCHEMBL13877943 0.80 TTR (0.46) ALDH1A1ALOX15HSD17B10L3MBTL1LDHA
SCHEMBL11333090 0.79 TTR (0.44) ALDH1A1ALOX15HSD17B10L3MBTL1LDHA
SCHEMBL11483062 0.79 TTR (0.44) THRBALDH1A1ALOX15TSHRHSD17B10
SCHEMBL67965 0.77 HSD11B1 (0.46) CYP3A4HPGDTSHRPKLRL3MBTL1
SCHEMBL29615335 0.77 HSD11B1 (0.46) CYP3A4HPGDTSHRPKLRL3MBTL1
SCHEMBL30130401 0.77 HSD11B1 (0.46) CYP3A4HPGDTSHRPKLRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104621170-A Acetamiprid and emamectin benzoate mixed soluble granular insecticide and preparation method thereof HEBEI VEYONG BIO CHEM CO LTD 2015-05-20 CN claimed
CN-104621170-A Acetamiprid and emamectin benzoate mixed soluble granular insecticide and preparation method thereof HEBEI VEYONG BIO CHEM CO LTD 2015-05-20 CN disclosed
US-4252556-A CATIONIC MORPHOLINIUM, PYRIDINIUM, QUINOLINIUM SURFACTANTS NOVEX TALALMANYFEJLESZTO ES ERTEKESITO KULKERESKEDELMI RT. (HU) 1981-02-24 US disclosed
US-4252555-A IMIDAZOLINIUM CATIONIC SURFACTANT NOVEX TALALMANYFEJLESZTO ES ERTEKESITO KULKERESKEDELMI RT. (HU) 1981-02-24 US disclosed
US-4218234-A CATIONIC COMPOUNDS NOVEX RT. (HU) 1980-08-19 US disclosed