SCHEMBL5035372

SCHEMBL5035372

COc1cccc2c(OC(C)C)c(C(C)C)sc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
CYP3A4 P08684 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
EP300 Q09472 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
CA2 P00918 1/20 0.33
MYB P10242 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ICAM1 P05362 1/20 0.32
SELE P16581 1/20 0.32
VCAM1 P19320 1/20 0.32
SLC6A4 P31645 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
SCHEMBL5040310 0.77 EDNRA (0.45) CYP3A4KDM4ECYP1A2CYP2C9CA2
SCHEMBL8443282 0.76 ICAM1 (0.56) CYP3A4KDM4ECYP1A2CYP2C9ALDH1A1
SCHEMBL5034044 0.75 ALDH1A1 (0.41) HDAC4HDAC8CYP3A4KDM4ECYP1A2
SCHEMBL15772943 0.73 IDO1 (0.45) IDO1HDAC4HDAC8CYP3A4KDM4E
SCHEMBL24926176 0.72 SMN1; SMN2 (0.50) HDAC4HDAC8CYP3A4KDM4ECA2
SCHEMBL25871284 0.72 CA2 (0.48) CYP3A4KDM4ECYP1A2CYP2C9CA2
SCHEMBL19612390 0.71 SLC6A4 (0.39) IDO1HDAC4HDAC8KDM4ECYP1A2
SCHEMBL19612192 0.69 SMN1; SMN2 (0.47) HDAC4HDAC8CYP3A4KDM4ECA2
SCHEMBL10602566 0.68 MCHR1 (0.46) HDAC4HDAC8KDM4ECYP1A2CYP2C9
SCHEMBL13232420 0.68 KDM4E (0.46) HDAC4HDAC8CYP3A4KDM4ECA2

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
EP-1585745-A4 FC RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS TRILLIUM THERAPEUTICS INC (CA) 2008-07-09 EP disclosed
EP-1585745-A1 FC RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS Arthron Limited (AU) 2005-10-19 EP disclosed
WO-2004058747-A1 FC RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS ARTHRON LIMITED (AU) 2004-07-15 WO disclosed