SCHEMBL6937092

SCHEMBL6937092

COc1cc(OC)cc(C2C3CC4CC(C3)CC2(ONC(C)=O)C4)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
FAAH O00519 1/20 0.37
EPHX2 P34913 4/20 0.36
P2RX7 Q99572 4/20 0.36
RECQL P46063 1/20 0.34
HSD11B1 P28845 1/20 0.34
HSD11B2 P80365 1/20 0.34
P2RX2 Q9UBL9 2/20 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
SCHEMBL8104780 0.81 P2RX7 (0.45) CNR2MEN1KMT2AFAAHEPHX2
SCHEMBL8104812 0.73 HSP90AA1 (0.37) CNR2MEN1KMT2AFAAHEPHX2
SCHEMBL8104976 0.69 KDM4E (0.36) EPHX2P2RX7
SCHEMBL8095608 0.68 KDM4E (0.38) MEN1KMT2AEPHX2P2RX7
SCHEMBL5805025 0.64 P2RX7 (0.47) CNR2MEN1KMT2AEPHX2P2RX7
SCHEMBL6941160 0.61 P2RX7 (0.67) KMT2AEPHX2P2RX7
SCHEMBL7570486 0.60 P2RX7 (0.64) MEN1KMT2AP2RX7RECQL
SCHEMBL23040781 0.59 ALDH1A1 (0.39) MEN1KMT2AEPHX2
SCHEMBL11640397 0.59 ALDH1A1 (0.44) CNR2MEN1KMT2AFAAH
SCHEMBL16248317 0.59 EPHX2 (0.49) CNR2MEN1KMT2AFAAHEPHX2

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-1036058-B1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LTD (GB) 2003-03-12 EP claimed
EP-1036058-A1 ADAMANTANE DERIVATIVES AstraZeneca UK Limited (GB) 2000-09-20 EP disclosed
WO-1999029660-A1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 1999-06-17 WO disclosed