SCHEMBL8993199

SCHEMBL8993199

O=C([O-])CC(c1ccccc1)S(=O)(=O)O.[Na+]

nearest known ligand 0.52

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
PDE4A known ✓ P27815 2/20 0.40
PDE4B known ✓ Q07343 2/20 0.40
PDE4C known ✓ Q08493 2/20 0.40
PDE4D known ✓ Q08499 2/20 0.40
GABBR2 known ✓ O75899 1/20 0.37
GABBR1 known ✓ Q9UBS5 1/20 0.37
SRC P12931 3/20 0.52
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
HSD11B1 P28845 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37

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
SCHEMBL9304771 0.83 SRC (0.57) SRCALDH1A1KMT2ACYP2D6CYP2C19
SCHEMBL10386606 0.80 KMT2A (0.56) SRCALDH1A1KMT2ACYP2D6CYP2C19
SCHEMBL22014067 0.79 TSHR (0.56) SRCALDH1A1KMT2ACYP2C19LMNA
SCHEMBL10909571 0.79 KMT2A (0.58) SRCALDH1A1KMT2ACYP2D6CYP2C19
SCHEMBL6677049 0.79 TSHR (0.56) SRCALDH1A1KMT2ACYP2C19LMNA
SCHEMBL22014331 0.79 TSHR (0.56) SRCALDH1A1KMT2ACYP2C19LMNA
SCHEMBL6673825 0.77 TSHR (0.55) SRCALDH1A1KMT2ACYP2C19LMNA
SCHEMBL8814382 0.77 SRC (0.50) SRCALDH1A1KMT2ACYP2D6CYP2C19
SCHEMBL14955287 0.77 SRC (0.57) SRCALDH1A1KMT2ACYP2D6CYP2C19
SCHEMBL14955046 0.77 SRC (0.57) SRCALDH1A1KMT2ACYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5482777-A CROSSLINKED WITH RESIN CONTAINING EPOXY GROUPS, ADDITIONAL BINDER CONTAINING ANIONIC OR CATIONIC GROUPS NIPPON ZEON CO., LTD. (JP) 1996-01-09 US disclosed
EP-0435264-B1 Binders for powder and magnetic recording media using same NIPPON ZEON CO (JP) 1995-06-28 EP disclosed
EP-0435264-A1 Binders for powder and magnetic recording media using same NIPPON ZEON CO., LTD. (JP) 1991-07-03 EP disclosed