SCHEMBL1700735

SCHEMBL1700735

N=C(CCC(=O)OC(=O)CCCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OC(=O)CCCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.62
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 4/20 0.61
POLB P06746 2/20 0.59
PRSS1 P07477 4/20 0.51
PKM P14618 1/20 0.48
HCAR3 P49019 2/20 0.44
LMNA P02545 3/20 0.41
MAPK1 P28482 3/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
TRPA1 O75762 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CDK2 P24941 1/20 0.40
THPO P40225 1/20 0.40

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
SCHEMBL27343040 0.84 MAPT (0.73) MAPTKDM4EALDH1A1POLBPRSS1
SCHEMBL26870037 0.81 MAPT (0.67) MAPTKDM4EALDH1A1POLBPRSS1
SCHEMBL37830 0.81 MAPT (0.63) MAPTKDM4EALDH1A1POLBPRSS1
SCHEMBL10932609 0.81 MAPT (0.63) MAPTKDM4EALDH1A1POLBPRSS1
SCHEMBL29928397 0.81 MAPT (0.63) MAPTKDM4EALDH1A1POLBPRSS1
SCHEMBL4295085 0.81 MAPT (0.63) MAPTKDM4EALDH1A1POLBPRSS1
SCHEMBL13345425 0.80 MAPT (0.58) MAPTKDM4EALDH1A1POLBPRSS1
SCHEMBL9755054 0.79 MAPT (0.65) MAPTKDM4EALDH1A1POLBPRSS1
SCHEMBL1700737 0.77 MAPT (0.60) MAPTKDM4EALDH1A1POLBPRSS1
SCHEMBL30060749 0.77 MAPT (0.60) MAPTKDM4EALDH1A1POLBPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566334-A1 CONTROLLED DRUG RELEASE FROM SOLID SUPPORTS Prolynx Llc (US) 2013-03-13 EP disclosed
EP-2566335-A1 CONTROLLED RELEASE FROM MACROMOLECULAR CONJUGATES Prolynx Llc (US) 2013-03-13 EP disclosed
WO-2011140393-A1 CONTROLLED RELEASE FROM MACROMOLECULAR CONJUGATES PROLYNX LLC (US) 2011-11-10 WO disclosed
WO-2011140392-A1 CONTROLLED DRUG RELEASE FROM SOLID SUPPORTS PROLYNX LLC (US) 2011-11-10 WO disclosed