SCHEMBL5586074

SCHEMBL5586074

OC#CCC1CC=CCC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 6/20 0.33
TDP1 Q9NUW8 3/20 0.33
PKM P14618 1/20 0.33
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK1 P28482 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL18686399 0.79 KDM4E (0.31) KDM4EHSD17B10ALDH1A1MAPK1ALOX15
SCHEMBL1264951 0.74
SCHEMBL7543263 0.71
SCHEMBL10516170 0.70
SCHEMBL7873210 0.70
SCHEMBL628623 0.70
SCHEMBL2138361 0.69 ALDH1A1 (0.39) KDM4EHSD17B10ALDH1A1TDP1PKM
SCHEMBL17580303 0.69 ALDH1A1 (0.39) KDM4EHSD17B10ALDH1A1TDP1PKM
SCHEMBL17425138 0.67
SCHEMBL19951536 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102783499-A Antimicrobial devices and compositions ACRYMED INC 2012-11-21 CN disclosed
EP-1781098-A2 ANTIMICROBIAL DEVICES AND COMPOSITIONS ACRYMED, INC. (US) 2007-05-09 EP disclosed
WO-2006015317-A2 ANTIMICROBIAL DEVICES AND COMPOSITIONS ACRYMED, INC. (US) 2006-02-09 WO disclosed