SCHEMBL8730964

SCHEMBL8730964

COC(=C1C2CC3CC1CC(O)(C3)C2)c1cccc(O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.44
EPHX2 P34913 6/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
CNR2 P34972 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 3/20 0.32
EGLN2 Q96KS0 1/20 0.32
HSD11B1 P28845 1/20 0.32
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
USP2 O75604 1/20 0.32
P4HB P07237 1/20 0.32
CA12 O43570 1/20 0.31

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
SCHEMBL8735081 0.86 FAAH (0.43) FAAHEPHX2ALDH1A1MAPTHPGD
SCHEMBL2626945 0.86 FAAH (0.43) FAAHEPHX2ALDH1A1MAPTHPGD
SCHEMBL8730919 0.86 FAAH (0.43) FAAHEPHX2ALDH1A1MAPTHPGD
SCHEMBL25410597 0.86 FAAH (0.43) FAAHEPHX2ALDH1A1MAPTHPGD
SCHEMBL30518974 0.86 FAAH (0.43) FAAHEPHX2ALDH1A1MAPTHPGD
SCHEMBL25317885 0.86 FAAH (0.43) FAAHEPHX2ALDH1A1MAPTHPGD
SCHEMBL734321 0.84 FAAH (0.43) FAAHEPHX2ALDH1A1MAPTHPGD
SCHEMBL8058782 0.84 FAAH (0.43) FAAHEPHX2ALDH1A1MAPTHPGD
SCHEMBL9615224 0.82 FAAH (0.40) FAAHEPHX2ALDH1A1MAPTHPGD
SCHEMBL2626946 0.80 ALDH1A1 (0.40) FAAHEPHX2ALDH1A1MAPTHPGD

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-0497972-B1 CHEMILUMINESCENT 3-(SUBSTITUTED ADAMANT-2'-YLIDENE) 1,2-DIOXETANES TROPIX INC (US) 1998-12-23 EP disclosed
EP-0497972-A1 CHEMILUMINESCENT 3-(SUBSTITUTED ADAMANT-2'-YLIDENE) 1,2-DIOXETANES TROPIX, INC. (US) 1992-08-12 EP disclosed
WO-1992004341-A1 CHEMILUMINESCENT 3-(SUBSTITUTED ADAMANT-2'-YLIDENE) 1,2-DIOXETANES TROPIX, INC. (US) 1992-03-19 WO disclosed