SCHEMBL9939548

SCHEMBL9939548

CC(C)CCCC(C)COC(=O)CC(C(=O)OCC(C)CCCC(C)C)S(=O)(=O)[O-].[Na+]

nearest known ligand 0.43

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 5)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.35
PTPN1 P18031 2/20 0.34
LMNA P02545 1/20 0.32
PRKCA P17252 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
SCHEMBL4077419 0.88 RECQL (0.51) RECQLLMNA
SCHEMBL10385633 0.86 RECQL (0.48) RECQL
SCHEMBL9939543 0.86 RECQL (0.55) RECQLBLMPTPN1LMNAPRKCA
SCHEMBL472039 0.84 RECQL (0.43) RECQLPRKCA
SCHEMBL11051177 0.81 RECQL (0.37) RECQL
SCHEMBL9355866 0.81 RECQL (0.43) RECQLPRKCA
SCHEMBL14957008 0.79 FUT7 (0.35) RECQL
SCHEMBL9252479 0.79 FUT7 (0.35) RECQL
SCHEMBL313158 0.79 FUT7 (0.35) RECQL
SCHEMBL6008566 0.79 FUT7 (0.35) RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114058265-B Water-based inorganic nano-composite silicon resin anticorrosive paint and preparation method thereof 国能投(北京)智慧能源科技有限公司 2022-04-01 CN claimed
CN-114058265-A Water-based inorganic nano-composite silicon resin anticorrosive paint and preparation method thereof 国能投(北京)智慧能源科技有限公司 2022-02-18 CN claimed
WO-2012079997-A2 COSMETIC COMPOSITION COMPRISING AN IMIDOPEROXYCARBOXYLIC ACID DERIVATIVE A BIS-ALKYL SULPHOSUCCINATE DERIVATIVE AND A 2-ACRYLAMIDO-2-METHYLPROPANESULPHONIC ACID COPOLYMER L'OREAL (FR) 2012-06-21 WO claimed
CN-114058265-B Water-based inorganic nano-composite silicon resin anticorrosive paint and preparation method thereof 国能投(北京)智慧能源科技有限公司 2022-04-01 CN disclosed
CN-114058265-A Water-based inorganic nano-composite silicon resin anticorrosive paint and preparation method thereof 国能投(北京)智慧能源科技有限公司 2022-02-18 CN disclosed