SCHEMBL7601488

SCHEMBL7601488

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.37
P2RX7 Q99572 1/20 0.32
CACNA1H O95180 1/20 0.31
EPHX2 P34913 1/20 0.31
MEN1 O00255 1/20 0.30
FAAH O00519 1/20 0.30
CNR2 P34972 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD11B1 P28845 1/20 0.30
HSD11B2 P80365 1/20 0.30
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
SCHEMBL8734196 0.86 KMT2A (0.41) ELANEEPHX2MEN1FAAHCNR2
SCHEMBL7595075 0.79 P2RX7 (0.33) P2RX7ALDH1A1SMN1; SMN2MAPTNPSR1
SCHEMBL9281608 0.77 ELANE (0.32) ELANE
SCHEMBL7597902 0.76 ELANE (0.38) ELANEMEN1FAAHCNR2KMT2A
SCHEMBL5165364 0.76 CNR2 (0.34) P2RX7EPHX2MEN1FAAHCNR2
SCHEMBL9430678 0.70 ELANE (0.43) ELANEEPHX2MEN1FAAHCNR2
SCHEMBL25320596 0.69 KMT2A (0.36) EPHX2MEN1FAAHCNR2KMT2A
SCHEMBL30518984 0.69 KMT2A (0.36) EPHX2MEN1FAAHCNR2KMT2A
SCHEMBL26304702 0.69 KMT2A (0.36) EPHX2MEN1FAAHCNR2KMT2A
SCHEMBL8730904 0.69 KMT2A (0.42) EPHX2MEN1FAAHCNR2KMT2A

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