SCHEMBL3397531

SCHEMBL3397531

CC(C)CCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)O.[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 6)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 1/20 0.39
CA1 known ✓ P00915 3/20 0.37
FUT7 Q11130 1/20 0.36
RECQL P46063 1/20 0.36
RARB P10826 1/20 0.31
GPR84 Q9NQS5 1/20 0.30

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
SCHEMBL32679859 1.00 CA2 (0.39) CA2CA1FUT7RECQLRARB
SCHEMBL9064457 1.00 CA2 (0.39) CA2CA1FUT7RECQLRARB
SCHEMBL27176758 1.00 CA2 (0.39) CA2CA1FUT7RECQLRARB
SCHEMBL29389184 1.00 CA2 (0.39) CA2CA1FUT7RECQLRARB
SCHEMBL1275499 1.00 CA2 (0.39) CA2CA1FUT7RECQLRARB
SCHEMBL8978025 0.98 CA2 (0.40) CA2CA1FUT7RECQLRARB
Potassium Ion SCHEMBL31171282 0.97 RECQL (0.36) CA2CA1FUT7RECQLRARB
SCHEMBL9777495 0.94 CA2 (0.41) CA2CA1FUT7RECQL
SCHEMBL1275498 0.90 FUT7 (0.38) CA2CA1FUT7RARB
SCHEMBL9064455 0.90 FUT7 (0.38) CA2CA1FUT7RARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119386519-A Mineral refining defoamer and preparation method thereof 欣格瑞(山东)化学有限公司 2025-02-07 CN claimed
CN-117899945-B Regeneration method for thallium poisoning catalyst 天河(保定)环境工程有限公司 2024-11-26 CN claimed
CN-117899945-A Regeneration method for thallium poisoning catalyst 天河(保定)环境工程有限公司 2024-04-19 CN claimed
CN-114681937-A Method for preparing dry suspending agent by combining spray drying and boiling granulation 南通泰禾化工股份有限公司 2022-07-01 CN claimed
CN-119386519-A Mineral refining defoamer and preparation method thereof 欣格瑞(山东)化学有限公司 2025-02-07 CN disclosed
CN-117899945-B Regeneration method for thallium poisoning catalyst 天河(保定)环境工程有限公司 2024-11-26 CN disclosed
CN-118177193-A Nanometer plant immunity-inducing agent seed coating agent and application thereof 江苏徐淮地区淮阴农业科学研究所 2024-06-14 CN disclosed
CN-118184879-A High-solid-content bio-based itaconate rubber emulsion for foaming material and preparation process and application thereof 山东京博中聚新材料有限公司 2024-06-14 CN disclosed
CN-117899945-A Regeneration method for thallium poisoning catalyst 天河(保定)环境工程有限公司 2024-04-19 CN disclosed
CN-114681937-A Method for preparing dry suspending agent by combining spray drying and boiling granulation 南通泰禾化工股份有限公司 2022-07-01 CN disclosed
US-7790000-B2 Volatilizer EARTH CHEMICAL CO., LTD. (JP) 2010-09-07 US disclosed
US-20080255258-A1 Method For the Production of Monodispersed Pearl Polymers Containing Acrylic LANXESS DEUTSCHLAND GMBH (DE) 2008-10-16 US disclosed
US-20080096987-A1 Method for the Production of Monodispersed Ion Exchangers Containing Pores LANXESS DEUTSCHLAND GMBH (DE) 2008-04-24 US disclosed
US-20070027222-A1 Monodisperse cation exchangers LANXESS DEUTSCHLAND GMBH 2007-02-01 US disclosed
US-20060231213-A1 Volatilizer EARTH CHEMICAL CO., LTD. 2006-10-19 US disclosed
EP-1516634-A1 VOLATILIZER Earth Chemical Co., Ltd. (JP) 2005-03-23 EP disclosed
WO-2001010393-A2 COSMETICS COMPOSITIONS CONTAINING AMPHOTERIC URETHANE RESINS AND SILICONE POLYMERS NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 2001-02-15 WO disclosed