SCHEMBL4800302

SCHEMBL4800302

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

nearest known ligand 0.53

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 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
GRK2 P25098 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
APAF1 O14727 1/20 0.53
DNMT1 P26358 1/20 0.53
PTPN7 P35236 1/20 0.53
RECQL P46063 1/20 0.53
BLM P54132 1/20 0.53
PPP1CA P62136 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
PTPN22 Q9Y2R2 1/20 0.53
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 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
SCHEMBL28913665 0.83 L3MBTL1 (0.55) POLBGRK2L3MBTL1APAF1DNMT1
SCHEMBL4800306 0.79 POLB (0.36) POLBGRK2L3MBTL1APAF1DNMT1
SCHEMBL28331514 0.79 POLB (0.49) POLBGRK2L3MBTL1APAF1DNMT1
SCHEMBL929301 0.73 ALDH1A1 (0.39) L3MBTL1ALDH1A1KDM4E
SCHEMBL8472395 0.73 ALDH1A1 (0.45) POLBGRK2L3MBTL1APAF1DNMT1
SCHEMBL3662136 0.73 POLB (0.44) POLBGRK2L3MBTL1APAF1DNMT1
SCHEMBL121581 0.73 ALDH1A1 (0.45) POLBGRK2L3MBTL1APAF1DNMT1
SCHEMBL31050197 0.73 POLB (0.58) POLBGRK2L3MBTL1APAF1DNMT1
Methyl Alcohol SCHEMBL29184376 0.71 ALDH1A1 (0.44) POLBGRK2L3MBTL1APAF1DNMT1
SCHEMBL9578217 0.71 POLB (0.43) POLBGRK2L3MBTL1APAF1DNMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358070-B2 Process for formation of pattern of polyhydroxyalkanoate CANON KABUSHIKI KAISHA (JP) 2008-04-15 US disclosed
US-20050196521-A1 Process for formation of pattern of polyhydroxyalkanoate CANON KABUSHIKI KAISHA (JP) 2005-09-08 US disclosed