SCHEMBL1030928

SCHEMBL1030928

O=S(=O)([O-])CC(O)S(=O)(=O)[O-].O=S(=O)([O-])CC(O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

nearest known ligand 0.41

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 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
TSSK1B Q9BXA7 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
SCHEMBL9004853 1.00 MEN1 (0.35) MEN1ALDH1A1TSHRKMT2ATP53
SCHEMBL1695398 0.77 MEN1 (0.39) MEN1ALDH1A1TSHRKMT2ATP53
SCHEMBL28369591 0.77
SCHEMBL28098009 0.74
SCHEMBL3424155 0.72 TSHR (0.35) MEN1ALDH1A1TSHRKMT2ATP53
SCHEMBL1280536 0.72
SCHEMBL8441359 0.72 MEN1 (0.35) MEN1ALDH1A1TSHRKMT2ATP53
SCHEMBL10779909 0.72
SCHEMBL490865 0.72
SCHEMBL28680211 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114250156-A Culture solution of yeast, method for producing same, skin external preparation, and skin cosmetic 片仓合作农业株式会社 2022-03-29 CN disclosed
US-20190038523-A1 HAIR COSMETIC MATERIAL COMPOSITION AND OXIDIZING AGENT-CONTAINING COMPOSITION THEREOF, HAIR COSMETIC MATERIAL, AND HAIR COSMETIC PRODUCT HOYU CO., LTD. 2019-02-07 US disclosed
US-20190038525-A1 HAIR COSMETIC MATERIAL COMPOSITION AND OXIDIZING AGENT-CONTAINING COMPOSITION THEREOF, HAIR COSMETIC MATERIAL, AND HAIR COSMETIC PRODUCT HOYU CO., LTD. 2019-02-07 US disclosed
US-20190038524-A1 HAIR COSMETIC MATERIAL COMPOSITION AND OXIDIZING AGENT-CONTAINING COMPOSITION THEREOF, HAIR COSMETIC MATERIAL, AND HAIR COSMETIC PRODUCT HOYU CO., LTD. 2019-02-07 US disclosed
US-20160128915-A1 HAIR COSMETIC MATERIAL COMPOSITION AND OXIDIZING AGENT-CONTAINING COMPOSITION THEREOF, HAIR COSMETIC MATERIAL, AND HAIR COSMETIC PRODUCT HOYU CO., LTD. (JP) 2016-05-12 US disclosed
EP-3015099-A1 HAIR COSMETIC MATERIAL COMPOSITION AND OXIDE-CONTAINING COMPOSITION THEREOF, HAIR COSMETIC MATERIAL, AND HAIR COSMETIC PRODUCT Hoyu Co., Ltd. (JP) 2016-05-04 EP disclosed
US-8258243-B2 Grafted silicone polymer and products made therewith 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-09-04 US disclosed
EP-2144954-B1 GRAFTED SILICONE POLYMER AND PRODUCTS MADE THEREWITH 3M INNOVATIVE PROPERTIES CO (US) 2011-01-19 EP disclosed
US-20100130693-A1 GRAFTED SILICONE POLYMER AND PRODUCTS MADE THEREWITH 3M INNOVATIVE PROPERTIES COMPANY 2010-05-27 US disclosed