SCHEMBL8335242

SCHEMBL8335242

CC(C)CO[C@@H]1O[C@H](COS(=O)(=O)[O-])[C@H](O)[C@H](OS(=O)(=O)[O-])[C@H]1O.[Na+].[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 5)

geneUniProtsupporting neighboursconfidence
FGF1 known ✓ P05230 3/20 0.52
F10 known ✓ P00742 3/20 0.48
SELP P16109 4/20 0.52
HPSE Q9Y251 10/20 0.46
SELL P14151 1/20 0.44

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
SCHEMBL8332204 0.93 HPSE (0.52) SELPFGF1F10HPSE
SCHEMBL8333986 0.87 SELP (0.55) SELPFGF1F10SELL
SCHEMBL8333989 0.87 SELP (0.55) SELPFGF1F10SELL
SCHEMBL8335818 0.87 SELP (0.49) SELPFGF1HPSE
SCHEMBL8335828 0.87 SELP (0.49) SELPFGF1HPSE
SCHEMBL8331963 0.86 SELP (0.55) SELPFGF1F10HPSESELL
SCHEMBL8331004 0.84 FGF1 (0.40) SELPFGF1F10HPSESELL
SCHEMBL8332214 0.83 HPSE (0.63) FGF1HPSE
SCHEMBL8333368 0.82 SELP (0.66) SELPFGF1F10HPSESELL
SCHEMBL8332237 0.79 FGF1 (0.51) SELPFGF1F10HPSESELL

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-5869460-A ANTIINFLAMMATORY AGENTS SANWA KAGUKU KENKYUSHO CO., LTD. (JP) 1999-02-09 US disclosed
EP-0771815-A1 Sulfated and phosphated saccharide derivatives, process for the preparation of the same and use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1997-05-07 EP disclosed