SCHEMBL28834682

SCHEMBL28834682

C=CC(CCC)CS(=O)(=O)[O-].[Na+]

nearest known ligand 0.32

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 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL28305689 0.78 TP53 (0.31)
SCHEMBL28278334 0.76 TP53 (0.31)
SCHEMBL28364705 0.73 CA12 (0.32)
SCHEMBL4820540 0.72
SCHEMBL28490727 0.71 CYP3A4 (0.32) CYP3A4TSHRNFKB1NPSR1
SCHEMBL28530855 0.70 TSHR (0.39) CYP3A4TSHRNFKB1NPSR1
SCHEMBL27610817 0.69
SCHEMBL15754774 0.68 NFKB1 (0.38) CYP3A4TSHRNFKB1NPSR1
SCHEMBL4456696 0.68
SCHEMBL137370 0.68

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-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-115886022-A Cis-cypermethrin and acetamiprid insecticidal composition and preparation method and application thereof 上海悦联生物科技有限公司 2023-04-04 CN disclosed
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-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