SCHEMBL9514472

SCHEMBL9514472

C=CCC(CCCC)S(=O)(=O)[O-].[Na+]

nearest known ligand 0.34

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 19)

geneUniProtsupporting neighboursconfidence
ACE known ✓ P12821 3/20 0.34
CA2 known ✓ P00918 3/20 0.32
MMP1 P03956 7/20 0.34
MMP7 P09237 5/20 0.34
MMP12 P39900 5/20 0.34
MMP13 P45452 5/20 0.34
MMP2 P08253 2/20 0.34
MMP3 P08254 2/20 0.34
TSHR P16473 5/20 0.32
RECQL P46063 2/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
EPHX2 P34913 1/20 0.32
BLM P54132 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ECE1 P42892 1/20 0.31
NR1I2 O75469 1/20 0.31

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
SCHEMBL7125310 0.96 MMP1 (0.34) MMP1MMP7MMP12MMP13ACE
SCHEMBL7108851 0.93 MMP1 (0.33) MMP1MMP7MMP12MMP13ACE
SCHEMBL15825362 0.82 TSHR (0.36) MMP1MMP7MMP12MMP13ACE
SCHEMBL11652838 0.81 TSHR (0.34) MMP1MMP7MMP12MMP13ACE
SCHEMBL368530 0.79 TSHR (0.33) MMP1MMP7MMP12MMP13ACE
SCHEMBL3365927 0.79 CA2 (0.36) TSHRCA2ALDH1A1SMN1; SMN2
SCHEMBL8458904 0.79 MMP1 (0.35) MMP1MMP7MMP12MMP13ACE
SCHEMBL88231 0.79 TP53 (0.37) MMP1MMP7MMP12MMP13ACE
SCHEMBL30444895 0.78 CA2 (0.42) TSHRCA2RECQLGLAHPGD
SCHEMBL9556820 0.78 CA2 (0.38) MMP1MMP7MMP12MMP13ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119463273-A Thermal expansion microsphere and preparation method thereof 湖北鼎汇微电子材料有限公司 2025-02-18 CN claimed
CN-110922573-A Organic fluorine unsaturated polyester resin emulsion and preparation method thereof 湖南辰砾新材料有限公司 2020-03-27 CN claimed
CN-110922545-B Alkyl hydroxyl block polymer modified polycarboxylic slump retaining agent and preparation method thereof 湖北工业大学 2022-09-13 CN disclosed
CN-110922546-B Phenyl hydroxyl compound ATRP method modified polycarboxylic acid slump retaining agent and preparation method thereof 湖北工业大学 2022-07-05 CN disclosed
CN-114149608-A Heat-expandable microsphere with particle size of 1-100 microns prepared by emulsion polymerization 湖北大学 2022-03-08 CN disclosed
CN-110922546-A Phenyl hydroxyl compound ATRP method modified polycarboxylic acid slump retaining agent and preparation method thereof 湖北工业大学 2020-03-27 CN disclosed
CN-110922545-A Alkyl hydroxyl block polymer modified polycarboxylic slump retaining agent and preparation method thereof 湖北工业大学 2020-03-27 CN disclosed
CN-110818906-A Polycarboxylate superplasticizer modified by alkyl amide block polymer by ATRP method and preparation method thereof 湖北工业大学 2020-02-21 CN disclosed
EP-0353976-B1 Detergents CUSSONS INT LTD (GB) 1993-12-01 EP disclosed
US-4396400-A WATER, NITROGENOUS CARBOXYLATE OR SULFONATE SURFACTANT SOCIETE ELF FRANCE (FR) 1983-08-02 US disclosed
US-4111705-A PHOSPHORIC ACID, SAND, A FERROUS OXIDE JUNOVICH JULY MOISEEVICH 1978-09-05 US disclosed