SCHEMBL7595075

SCHEMBL7595075

COC(=C1C2CC3CC1CC(Cl)(C3)C2)c1cc(O)cc(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.33
HCAR1 Q9BXC0 1/20 0.33
ALDH1A1 P00352 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL5165364 0.86 CNR2 (0.34) P2RX7MAPT
SCHEMBL30518974 0.82 FAAH (0.43) P2RX7ALDH1A1SMN1; SMN2MAPTNPSR1
SCHEMBL2626945 0.82 FAAH (0.43) P2RX7ALDH1A1SMN1; SMN2MAPTNPSR1
SCHEMBL25410597 0.82 FAAH (0.43) P2RX7ALDH1A1SMN1; SMN2MAPTNPSR1
SCHEMBL25317885 0.82 FAAH (0.43) P2RX7ALDH1A1SMN1; SMN2MAPTNPSR1
SCHEMBL7601488 0.79 ELANE (0.37) P2RX7ALDH1A1SMN1; SMN2MAPTNPSR1
SCHEMBL2626926 0.79 MAPT (0.38) P2RX7ALDH1A1SMN1; SMN2MAPTNPSR1
SCHEMBL15763281 0.78 ALDH1A1 (0.32) P2RX7ALDH1A1SMN1; SMN2MAPTNPSR1
SCHEMBL25320640 0.77 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2MAPTNPSR1
SCHEMBL25320643 0.77 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2MAPTNPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6346615-B1 SPIROADAMANTYL DIOXETANES BEARING AN ALKOXY SUBSTITUENT, AND AN AROMATIC SUBSTITUENT ON THE DIOXETANE RING CAN BE ACTIVATED TO CHEMILUMINESCE IF THE AROMATIC SUBSTITUENT BEARS A MOIETY THAT IS CLEAVED BY AN ENZYME TROPIX, INC. 2002-02-12 US disclosed
EP-0649417-A1 IMPROVED CHEMILUMINESCENT 1,2-DIOXETANES TROPIX, INC. (US) 1995-04-26 EP disclosed
EP-0649417-A4 IMPROVED CHEMILUMINESCENT 1,2-DIOXETANES. TROPIX INC (US) 1995-02-27 EP disclosed
WO-1994026726-A1 IMPROVED CHEMILUMINESCENT 1,2-DIOXETANES TROPIX, INC. (US) 1994-11-24 WO disclosed