SCHEMBL7214255

SCHEMBL7214255

CCCCCCCCCCCCCCCC(=O)OCC(O)CO[C@H]1O[C@H](CS(=O)(=O)[O-])[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.[Na+]

nearest known ligand 0.63

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 11)

geneUniProtsupporting neighboursconfidence
▸ VEGFA P15692 4/20 0.63
▸ SELP P16109 8/20 0.52
▸ TNF P01375 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ DUSP3 P51452 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TLR2 O60603 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ CDC25B P30305 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
SCHEMBL6930044 1.00 VEGFA (0.63) VEGFASELPTNFKDM4EDUSP3
SCHEMBL6839245 1.00 VEGFA (0.63) VEGFASELPTNFKDM4EDUSP3
SCHEMBL6925828 0.92 VEGFA (0.51) VEGFASELPTNFKDM4EDUSP3
SCHEMBL6925831 0.92 VEGFA (0.51) VEGFASELPTNFKDM4EDUSP3
SCHEMBL6927239 0.90 VEGFA (0.64) VEGFASELPLMNATLR2
SCHEMBL6831894 0.90 VEGFA (0.64) VEGFASELPLMNATLR2
SCHEMBL6925912 0.90 VEGFA (0.64) VEGFASELPLMNATLR2
SCHEMBL6838278 0.90 VEGFA (0.64) VEGFASELPLMNATLR2
SCHEMBL8824434 0.88 PTPN1 (0.50) VEGFASELPTNFPTPN1CDC25B
SCHEMBL8998244 0.88 VEGFA (0.48) VEGFASELPTNFKDM4EDUSP3

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
EP-1164140-B1 NOVEL SULFOFUCOSYLACYLGLYCEROL DERIVATIVES AND UTILIZATION THEREOF AS DRUGS TOYO SUISAN KAISHA (JP) 2003-07-09 — — EP disclosed
EP-1164140-A1 NOVEL SULFOFUCOSYLACYLGLYCEROL DERIVATIVES AND UTILIZATION THEREOF AS DRUGS Toyo Suisan Kaisha, Ltd. (JP) 2001-12-19 — — EP disclosed
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