SCHEMBL8420074

SCHEMBL8420074

O=C(O)C(O)C(OS(=O)(=O)CCN1CCN(CCO)CC1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD11B1 P28845 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
ALDH1A1 P00352 4/20 0.31
KDM4E B2RXH2 1/20 0.31
TERT O14746 2/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL6365195 0.79 CHRM2 (0.39) HTTLMNAKMT2ACHRM2CHRM1
Cadaverine Tartrate SCHEMBL8420068 0.77 HTT (0.38) HTTLMNAKMT2AHSD11B1CHRM2
SCHEMBL7567319 0.75 CHRM2 (0.39) HTTLMNAKMT2ACHRM2CHRM1
SCHEMBL7618980 0.72 ALDH1A1 (0.42) HTTLMNAKMT2AHSD11B1CHRM2
SCHEMBL4607776 0.72 LMNA (0.32) LMNATSHR
SCHEMBL15619381 0.70 LMNA (0.31) HTTLMNAKMT2A
Lactic Acid SCHEMBL6365192 0.70 CHRM2 (0.40) HTTLMNAKMT2ACHRM2CHRM1
SCHEMBL2987446 0.68 ALDH1A1 (0.38) HTTLMNAKMT2AHSD11B1CHRM2
Bicarbonate SCHEMBL5227 0.68 ALDH1A1 (0.41) HTTLMNAKMT2AHSD11B1CHRM2
SCHEMBL7566192 0.67 ALDH1A1 (0.39) HTTLMNAKMT2AHSD11B1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0941065-A1 IONOPHORE-MEDIATED LIPOSOME LOADING OF WEAKLY BASIC DRUG THE UNIVERSITY OF BRITISH COLUMBIA (CA) 1999-09-15 EP disclosed
US-5837282-A DRUG DELIVERY; ENCAPSULATION OF A WEAKLY BASIC DRUG UNIVERSITY OF BRITISH COLUMBIA (CA) 1998-11-17 US disclosed
WO-1998018450-A1 IONOPHORE-MEDIATED LIPOSOME LOADING OF WEAKLY BASIC DRUG THE UNIVERSITY OF BRITISH COLUMBIA (CA) 1998-05-07 WO disclosed