SCHEMBL5215530

SCHEMBL5215530

CNc1cccc(CNc2[c]cccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.39
NOS2 P35228 2/20 0.39
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
TSHR P16473 1/20 0.34
HIF1A Q16665 4/20 0.34
PARP1 P09874 1/20 0.34
HTT P42858 1/20 0.33
ABCB1 P08183 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL7024766 0.82 NR3C1 (0.47) MAPTTSHRHIF1APARP1
SCHEMBL5846724 0.80 MAOB (0.46) RECQLAURKA
SCHEMBL693665 0.78 HSD17B10 (0.47) MAPTTSHRHTT
SCHEMBL8063033 0.78 APP (0.48) MAPTHDAC6
SCHEMBL7092633 0.78 ALDH1A1 (0.33) MAPTRAB9AHDAC8HDAC6ABCB1
SCHEMBL28101500 0.75 FFAR1 (0.51) HDAC8HTTFFAR1
SCHEMBL4845448 0.75 VNN1 (0.47) NOS1TSHRHIF1A
SCHEMBL6757752 0.73 HIF1A (0.57) MAPTRAB9AHDAC8HDAC6TSHR
SCHEMBL10061632 0.73 KDM4E (0.52) NOS1NOS2MAPTTSHR
SCHEMBL30880298 0.73 KDM4E (0.52) NOS1NOS2MAPTTSHR

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-1633733-A4 CANNABINOID DERIVATIVES, METHODS OF MAKING, AND USE THEREOF UNIV TENNESSEE RES CORP (US) 2007-02-28 EP disclosed
EP-1633733-A1 CANNABINOID DERIVATIVES, METHODS OF MAKING, AND USE THEREOF THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 2006-03-15 EP disclosed
WO-2004113320-A1 CANNABINOID DERIVATIVES, METHODS OF MAKING, AND USE THEREOF THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2004-12-29 WO disclosed