SCHEMBL1030923

SCHEMBL1030923

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

nearest known ligand 0.50

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 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
ENPEP Q07075 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
SCHEMBL16146090 0.75 TP53 (0.50) TP53MEN1ALDH1A1TSHRKMT2A
SCHEMBL28098009 0.73
SCHEMBL28724770 0.71 MEN1 (0.36) TP53MEN1ALDH1A1TSHRKMT2A
SCHEMBL27593384 0.71
SCHEMBL490848 0.71
SCHEMBL9196783 0.69 MEN1 (0.47) TP53MEN1ALDH1A1TSHRKMT2A
SCHEMBL28570551 0.69 TP53 (0.43) TP53MEN1ALDH1A1TSHRKMT2A
Glycerin SCHEMBL1712541 0.69 TP53 (0.58) TP53MEN1ALDH1A1TSHRKMT2A
SCHEMBL2749723 0.69 TSHR (0.32) TP53MEN1ALDH1A1TSHRKMT2A
Potassium Ion SCHEMBL16146264 0.69 TP53 (0.50) TP53MEN1ALDH1A1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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