SCHEMBL13858780

SCHEMBL13858780

CCCCCCCCCCCCSC(=S)[S-].[Na+]

nearest known ligand 0.48

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 20)

geneUniProtsupporting neighboursconfidence
CA12 known ✓ O43570 6/20 0.48
CA1 known ✓ P00915 6/20 0.48
CA2 known ✓ P00918 6/20 0.48
THRB known ✓ P10828 2/20 0.38
CA9 Q16790 6/20 0.48
HSD17B10 Q99714 2/20 0.38
CES2 O00748 1/20 0.38
GMNN O75496 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
BLM P54132 1/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
TSHR P16473 2/20 0.36
ACHE P22303 2/20 0.36
MGLL Q99685 1/20 0.35
LMNA P02545 2/20 0.35

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
SCHEMBL11605944 1.00 CA12 (0.48) CA12CA1CA2CA9THRB
SCHEMBL20142451 1.00 CA12 (0.48) CA12CA1CA2CA9THRB
SCHEMBL35267 1.00 CA12 (0.48) CA12CA1CA2CA9THRB
Potassium Ion SCHEMBL9788101 0.95 CA12 (0.47) CA12CA1CA2CA9THRB
SCHEMBL11043254 0.95 CA12 (0.43) CA12CA1CA2CA9THRB
SCHEMBL11039650 0.95 CA12 (0.43) CA12CA1CA2CA9THRB
Potassium Ion SCHEMBL9851169 0.95 CA12 (0.47) CA12CA1CA2CA9THRB
SCHEMBL10397109 0.91
Zinc Ion SCHEMBL5450533 0.86 NOS3 (0.44) CA12CA1CA2CA9POLB
Potassium Ion SCHEMBL11855148 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108017775-B Preparation method of polyurethane RAFT reagent 上饶师范学院 2022-06-21 CN claimed
CN-119708391-A Antioxidant block copolymer emulsifier nanoparticle and synthesis method thereof 常州大学 2025-03-28 CN disclosed
US-11459420-B2 Block copolymers, membranes and methods The Florida State University Research Foundation, Inc. (US) 2022-10-04 US disclosed
CN-108017775-B Preparation method of polyurethane RAFT reagent 上饶师范学院 2022-06-21 CN disclosed
CN-108017775-B Preparation method of polyurethane RAFT reagent 上饶师范学院 2022-06-21 CN disclosed
US-20210332177-A1 Block Copolymers, Membranes and Methods The Florida State University Research Foundation, Inc. 2021-10-28 US disclosed
EP-2746308-B1 USE OF BLOCK COPOLYMER AND ANTITHROMBOTIC COATING AGENT DAINIPPON INK & CHEMICALS (JP) 2016-11-30 EP disclosed
US-9474835-B2 Block copolymer and antithrombotic coating agent KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) 2016-10-25 US disclosed
EP-2707404-B1 BLOCK POLYMER INCLUDING ISOBUTYL ACRYLATE AND ACRYLIC ACID, COSMETIC COMPOSITION AND TREATMENT METHOD OREAL (FR) 2015-09-30 EP disclosed
US-20140235748-A1 BLOCK COPOLYMER AND ANTITHROMBOTIC COATING AGENT DIC CORPORATION (JP) 2014-08-21 US disclosed
EP-2746308-A2 BLOCK COPOLYMER, AND ANTITHROMBOTIC COATING AGENT Kawamura Institute Of Chemical Research (JP) 2014-06-25 EP disclosed
EP-2707404-A1 BLOCK POLYMER INCLUDING ISOBUTYL ACRYLATE AND ACRYLIC ACID, COSMETIC COMPOSITION AND TREATMENT METHOD L'OREAL (FR) 2014-03-19 EP disclosed
WO-2012156630-A1 BLOCK POLYMER INCLUDING ISOBUTYL ACRYLATE AND ACRYLIC ACID, COSMETIC COMPOSITION AND TREATMENT METHOD L'OREAL (FR) 2012-11-22 WO disclosed