SCHEMBL28359336

SCHEMBL28359336

O=S(=O)([O-])CC(CCl)c1ccccc1.[Na+]

nearest known ligand 0.39

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 3/20 0.39
▸ CA2 known ✓ P00918 3/20 0.39
▸ GABBR2 known ✓ O75899 2/20 0.34
▸ GABBR1 known ✓ Q9UBS5 2/20 0.34
▸ CA1 known ✓ P00915 1/20 0.33
▸ CA9 Q16790 3/20 0.39
▸ CCR5 P51681 1/20 0.35
▸ CYP2C19 P33261 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ SRC P12931 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ CES2 O00748 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ ALDH1A1 P00352 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
SCHEMBL28363012 0.78 GABBR2 (0.49) CCR5GABBR2GABBR1CYP2C19NPSR1
SCHEMBL5598365 0.75 TSHR (0.48) GABBR2GABBR1NPSR1CYP1A2CYP2D6
SCHEMBL10638205 0.73 LMNA (0.47) CA12CA2CA9CYP2C19PKM
SCHEMBL4760112 0.69 MTNR1A (0.60) —
SCHEMBL2237751 0.67 LMNA (0.48) CCR5CYP2D6TSHRLMNA
SCHEMBL28576347 0.67 TRPA1 (0.42) GABBR2GABBR1NPSR1CYP1A2CYP2D6
SCHEMBL8032906 0.67 TRPA1 (0.42) GABBR2GABBR1NPSR1CYP1A2CYP2D6
Sulfuric Acid SCHEMBL6557209 0.67 TSHR (0.67) CA12CA2CA9CYP2C19CYP2D6
SCHEMBL27882751 0.67 GABBR2 (0.37) GABBR2GABBR1NPSR1CYP1A2CYP2D6
SCHEMBL4175640 0.67 GABBR2 (0.66) GABBR2GABBR1CYP2C19NPSR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110835522-B Temperature-resistant and salt-resistant type super-thick oil emulsifying viscosity reducer and preparation method thereof 中国石油化工股份有限公司 2022-02-15 — — CN claimed
CN-110835522-A Temperature-resistant and salt-resistant type super-thick oil emulsifying viscosity reducer and preparation method thereof 中国石油化工股份有限公司 2020-02-25 — — CN claimed
CN-110835522-B Temperature-resistant and salt-resistant type super-thick oil emulsifying viscosity reducer and preparation method thereof 中国石油化工股份有限公司 2022-02-15 — — CN disclosed
CN-110835522-A Temperature-resistant and salt-resistant type super-thick oil emulsifying viscosity reducer and preparation method thereof 中国石油化工股份有限公司 2020-02-25 — — CN disclosed
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