SCHEMBL6239016

SCHEMBL6239016

CCCCCCCCCCCCOS(=O)(=O)[O-].CC[n+]1ccccc1

nearest known ligand 0.64

Known targets — ChEMBL curated mechanism

S1PR1S1PR2S1PR3S1PR4S1PR5rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
▸ RECQL P46063 2/20 0.64
▸ TSHR P16473 2/20 0.64
▸ MAPK1 P28482 2/20 0.64
▸ GLA P06280 1/20 0.64
▸ HPGD P15428 1/20 0.64
▸ EPHX2 P34913 1/20 0.64
▸ BLM P54132 1/20 0.64
▸ CHRM2 P08172 2/20 0.44
▸ ADRA2A P08913 2/20 0.44
▸ ADORA3 P0DMS8 2/20 0.44
▸ CHRM1 P11229 2/20 0.44
▸ ACHE P22303 2/20 0.44
▸ SLC6A2 P23975 2/20 0.44
▸ SLC6A4 P31645 2/20 0.44
▸ SLC6A3 Q01959 2/20 0.44
▸ ABCB11 O95342 1/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ PGR P06401 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ DRD1 P21728 1/20 0.44

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
SCHEMBL1416500 0.89 RECQL (0.62) RECQLTSHRMAPK1GLAHPGD
SCHEMBL1416644 0.89 RECQL (0.62) RECQLTSHRMAPK1GLAHPGD
Cetylpyridinium SCHEMBL6816053 0.89 RECQL (0.62) RECQLTSHRMAPK1GLAHPGD
Cetylpyridinium SCHEMBL31012333 0.87 RECQL (0.63) RECQLTSHRMAPK1GLAHPGD
Hydrochloric Acid SCHEMBL20548536 0.87 RECQL (0.63) RECQLTSHRMAPK1GLAHPGD
SCHEMBL1255772 0.86 RECQL (0.66) RECQLTSHRMAPK1GLAHPGD
Benzene SCHEMBL15752865 0.85 RECQL (0.88) RECQLTSHRMAPK1GLAHPGD
Octadecyl Sulfate SCHEMBL10845191 0.85 RECQL (0.88) RECQLTSHRMAPK1GLAHPGD
Benzene SCHEMBL65602 0.85 RECQL (0.88) RECQLTSHRMAPK1GLAHPGD
Benzene SCHEMBL4578661 0.85 RECQL (0.81) RECQLTSHRMAPK1GLAHPGD

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-20050279632-A1 Electrophoresis process using ionic liquids LARGE SCALE PROTEOMICS CORPORATION (US) 2005-12-22 — — US claimed
EP-1536870-A2 ELECTROPHORESIS PROCESS USING IONIC LIQUIDS Large Scale Proteomics Corp. (US) 2005-06-08 — — EP claimed
WO-2004024279-A9 ELECTROPHORESIS PROCESS USING IONIC LIQUIDS LARGE SCALE PROTEOMICS CORP (US) 2004-06-03 — — WO claimed
WO-2004024279-A3 ELECTROPHORESIS PROCESS USING IONIC LIQUIDS LARGE SCALE PROTEOMICS CORP (US) 2004-04-29 — — WO claimed
WO-2004024279-A2 ELECTROPHORESIS PROCESS USING IONIC LIQUIDS LARGE SCALE PROTEOMICS CORPORATION (US) 2004-03-25 — — WO claimed
US-20040031685-A1 Electrophoresis process using ionic liquids LARGE SCALE PROTEMICS CORP. 2004-02-19 — — US claimed
US-20050279632-A1 Electrophoresis process using ionic liquids LARGE SCALE PROTEOMICS CORPORATION (US) 2005-12-22 — — US disclosed
US-6939453-B2 Electrophoresis process using ionic liquids LARGE SCALE PROTEOMICS CORPORATION (US) 2005-09-06 — — US disclosed
EP-1536870-A2 ELECTROPHORESIS PROCESS USING IONIC LIQUIDS Large Scale Proteomics Corp. (US) 2005-06-08 — — EP disclosed
WO-2004024279-A9 ELECTROPHORESIS PROCESS USING IONIC LIQUIDS LARGE SCALE PROTEOMICS CORP (US) 2004-06-03 — — WO disclosed
WO-2004024279-A3 ELECTROPHORESIS PROCESS USING IONIC LIQUIDS LARGE SCALE PROTEOMICS CORP (US) 2004-04-29 — — WO disclosed
WO-2004024279-A2 ELECTROPHORESIS PROCESS USING IONIC LIQUIDS LARGE SCALE PROTEOMICS CORPORATION (US) 2004-03-25 — — WO disclosed
US-20040031685-A1 Electrophoresis process using ionic liquids LARGE SCALE PROTEMICS CORP. 2004-02-19 — — US disclosed
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