SCHEMBL5074115

SCHEMBL5074115

CCCCc1cccc(NC(C)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.57
POLB P06746 1/20 0.57
NR4A1 P22736 1/20 0.57
AOC3 Q16853 1/20 0.56
MAPT P10636 1/20 0.55
TSHR P16473 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPSR1 Q6W5P4 1/20 0.54
HSD17B10 Q99714 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP1A2 P05177 1/20 0.53
NPC1 O15118 1/20 0.52
S1PR1 P21453 3/20 0.51
S1PR4 O95977 1/20 0.51
S1PR3 Q99500 1/20 0.51
S1PR5 Q9H228 1/20 0.51
MLNR O43193 1/20 0.51
TRPV1 Q8NER1 1/20 0.50

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
SCHEMBL13483465 0.95 S1PR1 (0.56) RAB9APOLBNR4A1AOC3MAPT
SCHEMBL1696515 0.90 AOC3 (0.62) RAB9APOLBNR4A1AOC3MAPT
SCHEMBL8868314 0.87 AOC3 (0.56) RAB9APOLBNR4A1AOC3MAPT
SCHEMBL8419389 0.87 AOC3 (0.56) RAB9APOLBNR4A1AOC3MAPT
SCHEMBL11679320 0.86 POLB (0.68) RAB9APOLBNR4A1MAPTMEN1
SCHEMBL3023471 0.86 POLB (0.56) RAB9APOLBNR4A1MAPTTSHR
SCHEMBL27655322 0.86 AOC3 (0.54) RAB9APOLBNR4A1AOC3MAPT
SCHEMBL8421131 0.86 AOC3 (0.58) RAB9APOLBNR4A1AOC3MAPT
SCHEMBL6836848 0.86 S1PR1 (0.53) RAB9APOLBAOC3MAPTHSD17B10
SCHEMBL22527264 0.85 RAB9A (0.55) RAB9APOLBNR4A1AOC3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280978-A1 Insect Repellent Compositions NELSON MANDELA METROPOLITAN UNIVERSITY (ZA) 2008-11-13 US claimed
EP-1750505-A1 INSECT REPELLENT COMPOSITIONS Nelson Mandela Metropolitan University (ZA) 2007-02-14 EP claimed
WO-2005112632-A1 INSECT REPELLENT COMPOSITIONS NELSON MANDELA METROPOLITAN UNIVERSITY (ZA) 2005-12-01 WO claimed
US-20080280978-A1 Insect Repellent Compositions NELSON MANDELA METROPOLITAN UNIVERSITY (ZA) 2008-11-13 US disclosed
US-20080280978-A1 Insect Repellent Compositions NELSON MANDELA METROPOLITAN UNIVERSITY (ZA) 2008-11-13 US disclosed
CN-101014244-A Insect repellent compositions NELSON MANDELA METROPOLITAN UN (ZA) 2007-08-08 CN disclosed
EP-1750505-A1 INSECT REPELLENT COMPOSITIONS Nelson Mandela Metropolitan University (ZA) 2007-02-14 EP disclosed
EP-1750505-A1 INSECT REPELLENT COMPOSITIONS Nelson Mandela Metropolitan University (ZA) 2007-02-14 EP disclosed
WO-2005112632-A1 INSECT REPELLENT COMPOSITIONS NELSON MANDELA METROPOLITAN UNIVERSITY (ZA) 2005-12-01 WO disclosed
WO-2005112632-A1 INSECT REPELLENT COMPOSITIONS NELSON MANDELA METROPOLITAN UNIVERSITY (ZA) 2005-12-01 WO disclosed