SCHEMBL809727

SCHEMBL809727

CCCCCCCN1CCC[N+]2=C1CCCCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 9/20 0.40
ALOX5 P09917 2/20 0.36
EEF2K O00418 1/20 0.35
NPC1 O15118 4/20 0.34
LMNA P02545 4/20 0.34
RAB9A P51151 4/20 0.34
SLC2A1 P11166 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
PAX8 Q06710 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NTSR1 P30989 1/20 0.34
SETD7 Q8WTS6 1/20 0.33
S1PR2 O95136 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL810055 1.00 CCR5 (0.40) CCR5ALOX5EEF2KNPC1LMNA
SCHEMBL810163 1.00 CCR5 (0.40) CCR5ALOX5EEF2KNPC1LMNA
SCHEMBL809917 1.00 CCR5 (0.40) CCR5ALOX5EEF2KNPC1LMNA
SCHEMBL810032 1.00 CCR5 (0.40) CCR5ALOX5EEF2KNPC1LMNA
SCHEMBL809576 1.00 CCR5 (0.40) CCR5ALOX5EEF2KNPC1LMNA
SCHEMBL809751 1.00 CCR5 (0.40) CCR5ALOX5EEF2KNPC1LMNA
SCHEMBL809689 1.00 CCR5 (0.40) CCR5ALOX5EEF2KNPC1LMNA
SCHEMBL810014 1.00 CCR5 (0.40) CCR5ALOX5EEF2KNPC1LMNA
SCHEMBL809787 1.00 CCR5 (0.40) CCR5ALOX5EEF2KNPC1LMNA
SCHEMBL809977 1.00 CCR5 (0.40) CCR5ALOX5EEF2KNPC1LMNA

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-2098567-B1 ACRYLIC RUBBER COMPOSITION AND VULCANIZATE THEREOF DENKI KAGAKU KOGYO KK (JP) 2011-11-16 EP disclosed
US-8012556-B2 Acrylic rubber composition and its vulcanized product DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2011-09-06 US disclosed
US-20100009105-A1 ACRYLIC RUBBER COMPOSITION AND VULCANIZED PRODUCT DENKI KAGAKU KIGYO KABUSHIKI KAISHA (JP) 2010-01-14 US disclosed
EP-2098567-A1 ACRYLIC RUBBER COMPOSITION AND VULCANIZATE THEREOF Denki Kagaku Kogyo Kabushiki Kaisha (JP) 2009-09-09 EP disclosed