SCHEMBL8669362

SCHEMBL8669362

O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)cc(S(=O)(=O)[O-])c1.[Na+]

nearest known ligand 0.54

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 19)

geneUniProtsupporting neighboursconfidence
ALOX5 known ✓ P09917 2/20 0.53
NSD2 O96028 1/20 0.54
MAPT P10636 7/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
TMPRSS15 P98073 2/20 0.43
TDP1 Q9NUW8 3/20 0.42
PARP10 Q53GL7 1/20 0.42
RAD51 Q06609 1/20 0.42
PRSS1 P07477 1/20 0.42
ACR P10323 1/20 0.42
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL2673549 0.88 MAPT (0.51) NSD2MAPTSMN1; SMN2ALOX5ALDH1A1
SCHEMBL5075975 0.84 HTT (0.47) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL130184 0.83 PARP10 (0.57) NSD2MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL27992061 0.83 NSD2 (0.57) NSD2MAPTSMN1; SMN2ALOX5ALDH1A1
SCHEMBL2035745 0.82 NSD2 (0.74) NSD2MAPTSMN1; SMN2ALOX5ALDH1A1
SCHEMBL8669360 0.82 NSD2 (0.56) NSD2MAPTSMN1; SMN2ALOX5ALDH1A1
Sulfuric Acid SCHEMBL6246551 0.81 MAPT (0.61) NSD2MAPTSMN1; SMN2ALOX5ALDH1A1
SCHEMBL28181981 0.79 LCK (0.62) NSD2MAPTSMN1; SMN2ALOX5ALDH1A1
Sulfuric Acid SCHEMBL8528908 0.77 PARP10 (0.61) NSD2MAPTSMN1; SMN2ALOX5ALDH1A1
SCHEMBL11579444 0.77 NSD2 (0.67) NSD2MAPTSMN1; SMN2ALOX5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5674968-A Aromatic sulfonated diester monomer, process to synthesize, polymer derived therefrom and method to prepare said polymer THE DOW CHEMICAL COMPANY (US) 1997-10-07 US claimed
US-5807962-A POLYCARBONATES; SOLVENT RESISTANCE; FIREPROOFING THE DOW CHEMICAL COMPANY (US) 1998-09-15 US disclosed
US-5807962-A POLYCARBONATES; SOLVENT RESISTANCE; FIREPROOFING THE DOW CHEMICAL COMPANY (US) 1998-09-15 US disclosed
US-5674968-A Aromatic sulfonated diester monomer, process to synthesize, polymer derived therefrom and method to prepare said polymer THE DOW CHEMICAL COMPANY (US) 1997-10-07 US disclosed