SCHEMBL11051177

SCHEMBL11051177

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

nearest known ligand 0.37

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 8)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.31
RECQL P46063 1/20 0.37
FUT7 Q11130 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP19A1 P11511 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
SCHEMBL9252479 0.94 FUT7 (0.35) RECQLFUT7MAPTMAPK1NPSR1
SCHEMBL6008566 0.94 FUT7 (0.35) RECQLFUT7MAPTMAPK1NPSR1
SCHEMBL14957008 0.94 FUT7 (0.35) RECQLFUT7MAPTMAPK1NPSR1
SCHEMBL313158 0.94 FUT7 (0.35) RECQLFUT7MAPTMAPK1NPSR1
SCHEMBL8585503 0.91 RECQL (0.35) RECQLFUT7MAPTMAPK1NPSR1
Potassium Ion SCHEMBL17706821 0.91 RECQL (0.35) RECQLFUT7MAPTMAPK1NPSR1
Potassium Ion SCHEMBL31047241 0.91 RECQL (0.35) RECQLFUT7MAPTMAPK1NPSR1
SCHEMBL8504319 0.91 CYP19A1 (0.38) RECQLMAPK1CA1CYP19A1
SCHEMBL5686088 0.86 RECQL (0.49) RECQLMAPTMAPK1NPSR1L3MBTL1
SCHEMBL552700 0.84 RECQL (0.44) RECQLMAPTMAPK1NPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4465756-A Electrostatographic enscapsulated toner material improved in chargeability FUJI PHOTO FILM CO., LTD. (JP) 1984-08-14 US disclosed