SCHEMBL8947096

SCHEMBL8947096

c1ccc2c(c1)OCCCOCCOCCOCCOCCO2

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.81
LMNA P02545 4/20 0.81
CRHBP P24387 2/20 0.81
CRHR2 Q13324 2/20 0.81
HTT P42858 2/20 0.81
ITGB2 P05107 1/20 0.67
ICAM1 P05362 1/20 0.67
ITGAL P20701 1/20 0.67
GAA P10253 2/20 0.57
KDM4E B2RXH2 3/20 0.49
MAPT P10636 4/20 0.47
BLM P54132 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 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
SCHEMBL30353510 1.00 SMN1; SMN2 (0.81) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL7788698 1.00 SMN1; SMN2 (0.81) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL23658082 0.98 SMN1; SMN2 (0.76) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL11505282 0.98 LMNA (0.85) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL11505281 0.98 LMNA (0.85) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL30143827 0.98 SMN1; SMN2 (0.76) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL14161716 0.96 SMN1; SMN2 (0.74) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL14488910 0.95 LMNA (0.81) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL8346859 0.95 SMN1; SMN2 (0.71) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL15381227 0.93 LMNA (0.77) SMN1; SMN2LMNACRHBPCRHR2HTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5514668-A CROWN ETHER ATTACHED TO POLYSACCHARIDE, DEMETALLIZATION, REMOVAL OF VIRUSES, AMMONIA, AMINES A/S AF 18. JUNI 1990 (DK) 1996-05-07 US disclosed
EP-0481013-B1 A COMPOSITION FOR REMOVING OR INACTIVATING HARMFUL COMPONENTS IN BLOOD OR OTHER EXTRACELLULAR BODY FLUIDS AF 18 JUNI 1990 AS (DK) 1994-09-21 EP disclosed
US-5314878-A Viruses, metals, radioactive materials, reaction product of dextran and crown ether A/S AF 18. JUNI 1990 (DK) 1994-05-24 US disclosed
EP-0481013-A1 A COMPOSITION FOR REMOVING OR INACTIVATING HARMFUL COMPONENTS IN BLOOD OR OTHER EXTRACELLULAR BODY FLUIDS. AF 18 JUNI 1990 AS (DK) 1992-04-22 EP disclosed
WO-1990015610-A1 A COMPOSITION FOR REMOVING OR INACTIVATING HARMFUL COMPONENTS IN BLOOD OR OTHER EXTRACELLULAR BODY FLUIDS AF 18 JUNI 1990 AS (DK) 1990-12-27 WO disclosed