SCHEMBL8333368

SCHEMBL8333368

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)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 0.66

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 7/20 0.50
F10 known ✓ P00742 1/20 0.42
SELP P16109 10/20 0.66
SELL P14151 2/20 0.66
HPSE Q9Y251 7/20 0.50
FGF2 P09038 6/20 0.50
VEGFA P15692 4/20 0.50

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
SCHEMBL8333154 0.94 SELP (0.61) SELPSELLFGF1HPSEFGF2
SCHEMBL8331963 0.91 SELP (0.55) SELPSELLFGF1HPSEFGF2
SCHEMBL8330539 0.89 SELP (0.79) SELPSELLVEGFA
SCHEMBL8331504 0.89 SELP (0.79) SELPSELLVEGFA
SCHEMBL8331509 0.89 SELP (0.79) SELPSELLVEGFA
SCHEMBL8330536 0.89 SELP (0.79) SELPSELLVEGFA
SCHEMBL258089 0.89 SELP (0.57) SELPSELLFGF1HPSEFGF2
SCHEMBL8329861 0.86 HPSE (0.67) SELPSELLFGF1HPSEFGF2
SCHEMBL8332237 0.85 FGF1 (0.51) SELPSELLFGF1HPSEFGF2
SCHEMBL8335242 0.82 SELP (0.52) SELPSELLFGF1HPSEF10

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 1 patent. 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