SCHEMBL1080643

SCHEMBL1080643

O=CC=C(NCC1CCC(CNC(=O)C=CC(=O)O)CC1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 6/20 0.33
LMNA P02545 3/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
TAAR1 Q96RJ0 2/20 0.32
MAP3K7 O43318 1/20 0.31
TAB1 Q15750 1/20 0.31

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
SCHEMBL1080641 1.00 POLB (0.38) POLBTDP1SMN1; SMN2HTTNPC1
SCHEMBL1060697 0.84 POLB (0.50) POLBTDP1SMN1; SMN2HTTNPC1
SCHEMBL1060694 0.84 POLB (0.50) POLBTDP1SMN1; SMN2HTTNPC1
SCHEMBL16054838 0.76 LMNA (0.44) POLBTDP1SMN1; SMN2HTTNPC1
SCHEMBL10065266 0.76 CYP2D6 (0.53) POLBTDP1SMN1; SMN2HTTNPC1
SCHEMBL16054840 0.76 LMNA (0.44) POLBTDP1SMN1; SMN2HTTNPC1
SCHEMBL16054837 0.76 LMNA (0.44) POLBTDP1SMN1; SMN2HTTNPC1
SCHEMBL16054834 0.76 LMNA (0.44) POLBTDP1SMN1; SMN2HTTNPC1
SCHEMBL13078096 0.76 SMN1; SMN2 (0.55) POLBSMN1; SMN2HTTNPC1GAA
SCHEMBL15462268 0.71 POLB (0.38) POLBTDP1SMN1; SMN2HTTNPC1

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-2451795-A1 COMPOSITIONS AND METHODS FOR ENHANCING VIRUS EFFICACY Ottawa Hospital Research Institute (CA) 2012-05-16 EP disclosed
WO-2011003191-A1 COMPOSITIONS AND METHODS FOR ENHANCING VIRUS EFFICACY OTTAWA HOSPITAL RESEARCH INSTITUTE (CA) 2011-01-13 WO disclosed