SCHEMBL8401302

SCHEMBL8401302

COC(=O)CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](COS(=O)(=O)[O-])[C@H](O)[C@H](OS(=O)(=O)[O-])[C@H]2O)[C@H]1NC(C)=O.[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 20)

geneUniProtsupporting neighboursconfidence
FGF1 known ✓ P05230 7/20 0.47
VEGFA P15692 5/20 0.52
BMP2 P12643 2/20 0.52
CXCL12 P48061 2/20 0.52
SHH Q15465 2/20 0.52
SELP P16109 2/20 0.50
LGALS8 O00214 1/20 0.50
LGALS3 P17931 1/20 0.50
LGALS4 P56470 1/20 0.50
IFNG P01579 1/20 0.50
PF4 P02776 1/20 0.50
CCL2 P13500 1/20 0.50
BMP6 P22004 1/20 0.50
CCL11 P51671 1/20 0.50
WNT3A P56704 1/20 0.50
SELPLG Q14242 1/20 0.50
MAPK1 P28482 1/20 0.48
PTN P21246 1/20 0.47
MDK P21741 1/20 0.47
BDNF P23560 1/20 0.47

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
SCHEMBL8401597 0.93 SELE (0.51) VEGFABMP2CXCL12SHHSELP
SCHEMBL8398183 0.90 SELE (0.52) VEGFABMP2CXCL12SHHSELP
SCHEMBL8401513 0.89 BDNF (0.54) VEGFABMP2CXCL12SHHSELP
SCHEMBL8401515 0.89 BDNF (0.54) VEGFABMP2CXCL12SHHSELP
SCHEMBL8398135 0.88 LGALS8 (0.52) VEGFABMP2CXCL12SHHSELP
SCHEMBL8594065 0.88 VEGFA (0.49) VEGFABMP2CXCL12SHHSELP
SCHEMBL8403298 0.88 VEGFA (0.49) VEGFABMP2CXCL12SHHSELP
SCHEMBL8401553 0.88 SELE (0.50) VEGFABMP2CXCL12SHHSELP
SCHEMBL8831319 0.87 LGALS3 (0.55) VEGFABMP2CXCL12SHHSELP
SCHEMBL8831331 0.87 LGALS3 (0.55) VEGFABMP2CXCL12SHHSELP

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-5874411-A ANTIINFLAMMATORY GLYCOMED INCORPORATED (US) 1999-02-23 US disclosed