SCHEMBL6689822

SCHEMBL6689822

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

nearest known ligand 0.35

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 5)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 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
SCHEMBL8441359 0.87 MEN1 (0.35) TP53MEN1ALDH1A1TSHRKMT2A
SCHEMBL28513985 0.85 TP53 (0.38) TP53MEN1ALDH1A1TSHRKMT2A
SCHEMBL1695398 0.82 MEN1 (0.39) TP53MEN1ALDH1A1TSHRKMT2A
SCHEMBL9004902 0.79 ENPEP (0.48) TP53ALDH1A1TSHR
SCHEMBL5149657 0.79
SCHEMBL28542127 0.77 FUT7 (0.39) TP53
SCHEMBL621335 0.77
SCHEMBL9403050 0.76 TP53 (0.35) TP53MEN1ALDH1A1TSHRKMT2A
SCHEMBL891108 0.76 GPR84 (0.47) TP53TSHR
SCHEMBL2383941 0.76 GPR84 (0.47) TP53TSHR

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-111393613-A Easily-dispersible self-extinction waterborne polyurethane curing agent and preparation method thereof 广东巴德富新材料有限公司 2020-07-10 CN claimed
CN-117026682-A Paper leather production process 浙江一树纸业集团有限公司 2023-11-10 CN disclosed
CN-116496705-A Adhesive film, laminate, and method for using adhesive film DIC株式会社 2023-07-28 CN disclosed
US-20230235201-A1 PSA FILM, LAMINATE, AND METHOD FOR USING PSA FILM DIC CORPORATION (JP) 2023-07-27 US disclosed
CN-114790293-B Poly (siloxane-hetero thioether) dihydric alcohol, aqueous polyurethane and polyurethane elastomer and preparation method thereof 山东大学 2023-05-12 CN disclosed
CN-114790293-A Poly (siloxane-hetero thioether) dihydric alcohol, waterborne polyurethane and polyurethane elastomer and preparation method thereof 山东大学 2022-07-26 CN disclosed
CN-112661933-A Preparation method of reactive waterborne polyurethane 武汉弘毅共聚新材料科技有限公司 2021-04-16 CN disclosed
CN-110295503-A A kind of preparation method of waterborne polyurethane synthetic leather 福建禾欣中裕新材料有限公司 2019-10-01 CN disclosed
CN-105385327-A Low-viscosity flame-retardant polyurethane metal paint NINGGUO LONGSHI METAL PRODUCT CO LTD 2016-03-09 CN disclosed
CN-102529257-A Transfer printing laminated body NIPPON SYNTHETIC CHEM IND 2012-07-04 CN disclosed
WO-2004078826-A1 BIODEGRADABLE ALPHATIC POLYESTER IONOMERIC RESIN AND ITS PREPARING METHOD HANYANG HAKWON CO., LTD. (KR) 2004-09-16 WO disclosed