SCHEMBL8730919

SCHEMBL8730919

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.43
ALDH1A1 P00352 3/20 0.36
EPHX2 P34913 5/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CNR2 P34972 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
MGLL Q99685 1/20 0.32
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
GRM2 Q14416 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
SCHEMBL8730964 0.86 FAAH (0.44) FAAHALDH1A1EPHX2MAPTHPGD
SCHEMBL8735081 0.85 FAAH (0.43) FAAHALDH1A1EPHX2MAPTHPGD
SCHEMBL2626945 0.85 FAAH (0.43) FAAHALDH1A1EPHX2MAPTHPGD
SCHEMBL25317885 0.85 FAAH (0.43) FAAHALDH1A1EPHX2MAPTHPGD
SCHEMBL30518974 0.85 FAAH (0.43) FAAHALDH1A1EPHX2MAPTHPGD
SCHEMBL25410597 0.85 FAAH (0.43) FAAHALDH1A1EPHX2MAPTHPGD
SCHEMBL734321 0.83 FAAH (0.43) FAAHALDH1A1EPHX2MAPTHPGD
SCHEMBL8058782 0.83 FAAH (0.43) FAAHALDH1A1EPHX2MAPTHPGD
SCHEMBL9615224 0.81 FAAH (0.40) FAAHALDH1A1EPHX2MAPTHPGD
SCHEMBL8733944 0.81 KMT2A (0.42) FAAHALDH1A1EPHX2MAPTHPGD

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