SCHEMBL13199541

SCHEMBL13199541

CNCCCCNC(=O)Nc1ccc(C(C)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
NPC1 O15118 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
RAB9A P51151 3/20 0.54
TAAR1 Q96RJ0 1/20 0.54
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
HTT P42858 2/20 0.53
NLRP1 Q9C000 1/20 0.53
HDAC1 Q13547 3/20 0.52
HDAC2 Q92769 3/20 0.52
EPHX1 P07099 4/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
MCL1 Q07820 1/20 0.51
NOX1 Q9Y5S8 1/20 0.51
CNR1 P21554 1/20 0.49
CCR3 P51677 1/20 0.48
HDAC3 O15379 1/20 0.48

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
SCHEMBL13052018 0.85 ALDH1A1 (0.55) MAPTNPC1SMN1; SMN2RAB9ATAAR1
SCHEMBL5974975 0.83 MAPT (0.54) MAPTNPC1SMN1; SMN2RAB9ATAAR1
SCHEMBL29957192 0.83 EPHX2 (0.58) MAPTNPC1SMN1; SMN2RAB9ATAAR1
SCHEMBL12290183 0.81 MAPT (0.60) MAPTNPC1SMN1; SMN2ALDH1A1HDAC1
SCHEMBL20709030 0.81 EPHX1 (0.77) SMN1; SMN2ALDH1A1MEN1KMT2AHTT
SCHEMBL27440837 0.81 MAPT (0.57) MAPTNPC1SMN1; SMN2RAB9ATAAR1
SCHEMBL27439714 0.81 MAPT (0.57) MAPTNPC1SMN1; SMN2RAB9ATAAR1
SCHEMBL17328296 0.80 MAPT (0.59) MAPTNPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL29952991 0.79 MAPT (0.60) MAPTNPC1SMN1; SMN2RAB9ATAAR1
SCHEMBL5974338 0.79 MAPT (0.56) MAPTNPC1SMN1; SMN2RAB9ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786249-B2 Biobeneficial polyamide/polyethylene glycol polymers for use with drug eluting stents ADVANCED CARDIOVASCULAR SYSTEMS, INC. (US) 2010-08-31 US disclosed
US-7772359-B2 Biobeneficial polyamide/polyethylene glycol polymers for use with drug eluting stents ADVANCED CARDIOVASCULAR SYSTEMS, INC. (US) 2010-08-10 US disclosed
US-7632914-B2 Biobeneficial polyamide/polyethylene glycol polymers for use with drug eluting stents ADVANCED CARDIOVASCULAR SYSTEMS, INC. (US) 2009-12-15 US disclosed
US-20090012606-A1 BIOBENEFICIAL POLYAMIDE/POLYETHYLENE GLYCOL POLYMERS FOR USE WITH DRUG ELUTING STENTS PACETTI STEPHEN D 2009-01-08 US disclosed
US-20090012243-A1 BIOBENEFICIAL POLYAMIDE/POLYETHYLENE GLYCOL POLYMERS FOR USE WITH DRUG ELUTING STENTS PACETTI STEPHEN D 2009-01-08 US disclosed
US-20090012259-A1 BIOBENEFICIAL POLYAMIDE/POLYETHYLENE GLYCOL POLYMERS FOR USE WITH DRUG ELUTING STENTS PACETTI STEPHEN D 2009-01-08 US disclosed
US-7435788-B2 Biobeneficial polyamide/polyethylene glycol polymers for use with drug eluting stents ADVANCED CARDIOVASCULAR SYSTEMS, INC. (US) 2008-10-14 US disclosed