SCHEMBL29004802

SCHEMBL29004802

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

nearest known ligand 0.57

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
THRB known ✓ P10828 1/20 0.43
FAAH O00519 4/20 0.57
MEN1 O00255 1/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 1/20 0.57
DNM1 Q05193 1/20 0.47
ALDH1A1 P00352 2/20 0.46
ASAH1 Q13510 1/20 0.46
ACER2 Q5QJU3 1/20 0.46
LPAR3 Q9UBY5 1/20 0.45
PLA2G10 O15496 2/20 0.44
HSP90AA1 P07900 1/20 0.44
NOD1 Q9Y239 1/20 0.44
PLA2G2C Q5R387 1/20 0.44
ASAH2 Q9NR71 1/20 0.43
CPT2 P23786 1/20 0.43
CPT1A P50416 1/20 0.43
CPT1B Q92523 1/20 0.43
KCNK3 O14649 1/20 0.43
CNR2 P34972 1/20 0.43

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
SCHEMBL11218864 0.81 FAAH (0.61) FAAHMEN1MAPK1KMT2ADNM1
SCHEMBL28705775 0.78 LPAR3 (0.49) FAAHMEN1MAPK1KMT2AALDH1A1
SCHEMBL12460086 0.78 FAAH (0.71) FAAHMEN1MAPK1KMT2ADNM1
SCHEMBL12540859 0.78 FAAH (0.71) FAAHMEN1MAPK1KMT2ADNM1
SCHEMBL2058975 0.78 FAAH (0.71) FAAHMEN1MAPK1KMT2ADNM1
SCHEMBL2058428 0.78 FAAH (0.71) FAAHMEN1MAPK1KMT2ADNM1
SCHEMBL2058779 0.78 FAAH (0.71) FAAHMEN1MAPK1KMT2ADNM1
SCHEMBL2058989 0.78 FAAH (0.71) FAAHMEN1MAPK1KMT2ADNM1
Sulfuric Acid SCHEMBL31710486 0.78 MEN1 (0.61) FAAHMEN1MAPK1KMT2ADNM1
Sulfuric Acid SCHEMBL31710135 0.78 MEN1 (0.61) FAAHMEN1MAPK1KMT2ADNM1

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-118973539-A Process for preparing shelf stable sulfur-containing personal care compositions 宝洁公司 2024-11-15 CN disclosed
CN-115484920-B Compositions with non-ethoxylated surfactants and co-surfactants to achieve good product consistency and performance 宝洁公司 2024-06-21 CN disclosed
CN-114423405-B Personal care compositions comprising anti-dandruff agents 宝洁公司 2024-05-28 CN disclosed
CN-114845694-B Transparent composition with soluble scalp health active 宝洁公司 2024-04-16 CN disclosed
CN-117015366-A Method for enhancing deposition of scalp active material 宝洁公司 2023-11-07 CN disclosed
CN-116761583-A Efficacy of azoxystrobin in scalp health 宝洁公司 2023-09-15 CN disclosed
CN-116546965-A Excellent efficacy of azoxystrobin and other strobilurins 宝洁公司 2023-08-04 CN disclosed
CN-116322631-A Low surfactant cosmetic composition comprising cationic polymer 宝洁公司 2023-06-23 CN disclosed
CN-115996700-A Efficacy of azoxystrobin in personal care forms 宝洁公司 2023-04-21 CN disclosed