SCHEMBL8335408

SCHEMBL8335408

CCCC(CCC)CO[C@@H]1O[C@H](COS(=O)(=O)[O-])[C@H](O)[C@H](O)[C@H]1O.[Na+]

nearest known ligand 0.51

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 7)

geneUniProtsupporting neighboursconfidence
FGF1 known ✓ P05230 2/20 0.44
CA2 known ✓ P00918 1/20 0.40
TLR4 known ✓ O00206 1/20 0.40
SELP P16109 8/20 0.51
SELL P14151 2/20 0.46
VEGFA P15692 4/20 0.45
GAA P10253 1/20 0.39

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
SCHEMBL8335411 1.00 SELP (0.51) SELPSELLVEGFAFGF1CA2
SCHEMBL258089 0.91 SELP (0.57) SELPSELLVEGFAFGF1TLR4
SCHEMBL8331511 0.89 GAA (0.42) SELPSELLVEGFACA2TLR4
SCHEMBL8331515 0.89 GAA (0.42) SELPSELLVEGFACA2TLR4
SCHEMBL8331963 0.88 SELP (0.55) SELPSELLVEGFAFGF1
SCHEMBL8332237 0.86 FGF1 (0.51) SELPSELLVEGFAFGF1
SCHEMBL8335818 0.84 SELP (0.49) SELPVEGFAFGF1CA2GAA
SCHEMBL8335828 0.84 SELP (0.49) SELPVEGFAFGF1CA2GAA
SCHEMBL8333368 0.80 SELP (0.66) SELPSELLVEGFAFGF1
SCHEMBL258055 0.80 TLR4 (0.53) SELPSELLVEGFATLR4

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