SCHEMBL1477075

SCHEMBL1477075

C=C(C)C(=O)OCCCCCCOc1ccc(N=Nc2ccc(OC)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
POLB P06746 1/20 0.64
APEX1 P27695 1/20 0.64
TSHR P16473 2/20 0.48
PPARA Q07869 2/20 0.46
PPARD Q03181 1/20 0.46
GAA P10253 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 4/20 0.42
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
CES2 O00748 1/20 0.39
ACHE P22303 1/20 0.39
CES1 P23141 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL18085867 1.00 HTT (0.64) HTTTDP1POLBAPEX1TSHR
SCHEMBL25894065 0.95 HTT (0.70) HTTTDP1POLBAPEX1TSHR
SCHEMBL18503403 0.95 HTT (0.70) HTTTDP1POLBAPEX1TSHR
SCHEMBL18927175 0.93 HTT (0.68) HTTTDP1POLBAPEX1TSHR
SCHEMBL28897371 0.92 HTT (0.64) HTTTDP1POLBAPEX1TSHR
SCHEMBL5332386 0.92 TDP1 (0.52) HTTTDP1POLBAPEX1PPARA
SCHEMBL5332382 0.92 TDP1 (0.52) HTTTDP1POLBAPEX1PPARA
SCHEMBL7751294 0.90 HTT (0.67) HTTTDP1POLBAPEX1TSHR
SCHEMBL29089237 0.90 HTT (0.64) HTTTDP1POLBAPEX1TSHR
SCHEMBL28729857 0.90 POLB (0.64) HTTTDP1POLBAPEX1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7914485-B2 Medical device employing liquid crystal block copolymers and method of making the same BOSTON SCIENTIFIC SCIMED, INC. (US) 2011-03-29 US disclosed
US-20100016941-A1 MEDICAL DEVICE EMPLOYING LIQUID CRYSTAL BLOCK COPOLYMERS AND METHOD OF MAKING THE SAME BOSTON SCIENTIFIC SCIMED, INC. (US) 2010-01-21 US disclosed
US-7582078-B2 Medical device employing liquid crystal block copolymers and method of making the same BOSTON SCIENTIFIC SCIMED, INC. (US) 2009-09-01 US disclosed
EP-2068959-A2 MEDICAL DEVICE EMPLOYING LIQUID CRYSTAL BLOCK COPOLYMERS AND METHOD OF MAKING THE SAME Boston Scientific Limited (BB) 2009-06-17 EP disclosed
WO-2008045166-A2 MEDICAL DEVICE EMPLOYING LIQUID CRYSTAL BLOCK COPOLYMERS AND METHOD OF MAKING THE SAME BOSTON SCIENTIFIC LIMITED (BB) 2008-04-17 WO disclosed
US-20070191814-A1 Medical device employing liquid crystal block copolymers and method of making the same BOSTON SCIENTIFIC SCIMED, INC. (US) 2007-08-16 US disclosed