SCHEMBL14800692

SCHEMBL14800692

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

nearest known ligand 0.00

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.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL3825811 0.85
SCHEMBL7074584 0.83 TGFBR1 (0.30)
SCHEMBL15397973 0.83
SCHEMBL7716883 0.83 POLB (0.35)
SCHEMBL8961468 0.81 TGFBR1 (0.42)
SCHEMBL1775597 0.70 TSHR (0.50)
SCHEMBL31441111 0.70 TSHR (0.50)
SCHEMBL1977257 0.69 TSHR (0.33)
SCHEMBL1996834 0.68
Potassium Ion SCHEMBL7626089 0.67 TSHR (0.50)

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2583663-B1 OIL-IN-WATER TYPE EMULSION SKIN COSMETIC SHISEIDO CO LTD (JP) 2019-04-03 EP claimed
EP-2583663-A1 OIL-IN-WATER TYPE EMULSION SKIN COSMETIC SHISEIDO COMPANY, LTD. (JP) 2013-04-24 EP claimed
US-20130079410-A1 OIL-IN-WATER TYPE EMULSION SKIN COSMETIC SHISEIDO COMPANY, LTD. (JP) 2013-03-28 US claimed
US-20240139091-A1 COSMETIC COMPOSITION COMPRISING POLYACRYLATE CROSSPOLYMER-6, AND SILICA AND/OR LAUROYL LYSINE THE PROCTER & GAMBLE COMPANY 2024-05-02 US disclosed
US-20240139090-A1 COSMETIC COMPOSITION COMPRISING POLYACRYLATE CROSSPOLYMER-6 AND HIGH HLB NONIONIC SURFACTANT THE PROCTER & GAMBLE COMPANY 2024-05-02 US disclosed
US-20240139084-A1 COSMETIC COMPOSITION COMPRISING SILICA AND LAUROYL LYSINE THE PROCTER & GAMBLE COMPANY 2024-05-02 US disclosed
WO-2024081033-A1 COSMETIC COMPOSITION COMPRISING POLYACRYLATE CROSSPOLYMER-6 AND HIGH HLB NONIONIC SURFACTANT THE PROCTER & GAMBLE COMPANY (US) 2024-04-18 WO disclosed
WO-2024081035-A1 COSMETIC COMPOSITION COMPRISING SILICA AND LAUROYL LYSINE THE PROCTER & GAMBLE COMPANY (US) 2024-04-18 WO disclosed
WO-2024081034-A1 COSMETIC COMPOSITION COMPRISING POLYACRYLATE CROSSPOLYMER-6, AND SILICA AND/OR LAUROYL LYSINE THE PROCTER & GAMBLE COMPANY (US) 2024-04-18 WO disclosed
US-20230404901-A1 COSMETIC COMPOSITION COMPRISING MICA AND LAUROYL LYSINE THE PROCTER & GAMBLE COMPANY 2023-12-21 US disclosed
WO-2023122465-A2 COSMETIC COMPOSITION COMPRISING MICA AND LAUROYL LYSINE THE PROCTER & GAMBLE COMPANY (US) 2023-06-29 WO disclosed
US-10300008-B2 Water-based cosmetic SHISEIDO COMPANY, LTD. (JP) 2019-05-28 US disclosed
EP-2583663-B1 OIL-IN-WATER TYPE EMULSION SKIN COSMETIC SHISEIDO CO LTD (JP) 2019-04-03 EP disclosed
US-20170202758-A1 OIL-IN-WATER EMULSION COMPOSITION SHISEIDO COMPANY, LTD. (JP) 2017-07-20 US disclosed
US-20170128352-A1 WATER-BASED COSMETIC SHISEIDO COMPANY, LTD. (JP) 2017-05-11 US disclosed
EP-3162359-A1 OIL-IN-WATER EMULSION COMPOSITION Shiseido Company Ltd. (JP) 2017-05-03 EP disclosed
EP-3162355-A1 WATER-BASED COSMETIC Shiseido Company Ltd. (JP) 2017-05-03 EP disclosed
US-8697750-B2 Oil-in-water type emulsion skin cosmetic SHISEIDO COMPANY, LTD. (JP) 2014-04-15 US disclosed
EP-2583663-A1 OIL-IN-WATER TYPE EMULSION SKIN COSMETIC SHISEIDO COMPANY, LTD. (JP) 2013-04-24 EP disclosed
US-20130079410-A1 OIL-IN-WATER TYPE EMULSION SKIN COSMETIC SHISEIDO COMPANY, LTD. (JP) 2013-03-28 US disclosed