SCHEMBL7523786

SCHEMBL7523786

CC(C)(C)C(=O)Oc1cccc(C23CC4CC(CC(C4)C2C(=O)C2C4CC5CC(C4)CC2(c2cccc(OC(=O)C(C)(C)C)c2)C5)C3)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 11/20 0.38
EPHX2 P34913 2/20 0.38
MEN1 O00255 1/20 0.36
FAAH O00519 1/20 0.36
CNR2 P34972 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD11B1 P28845 2/20 0.35
HSD11B2 P80365 2/20 0.35
P2RX2 Q9UBL9 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34

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
SCHEMBL8064643 0.84 MEN1 (0.50) EPHX2MEN1FAAHCNR2KMT2A
SCHEMBL8622725 0.78 ELANE (0.40) ELANEEPHX2MEN1FAAHCNR2
SCHEMBL7523253 0.77 FAAH (0.45) EPHX2MEN1FAAHKMT2A
SCHEMBL9837250 0.76 ELANE (0.38) ELANEEPHX2MEN1FAAHCNR2
SCHEMBL15209596 0.74 ELANE (0.34) ELANEHSD11B1
SCHEMBL12493805 0.72 OPRD1 (0.41) MEN1KMT2A
SCHEMBL12687512 0.72 OPRD1 (0.41) MEN1KMT2A
SCHEMBL12687583 0.72 SLC22A1 (0.41) ELANEEPHX2MEN1KMT2AHSD11B1
Hydrochloric Acid SCHEMBL15209881 0.71 OPRD1 (0.40) MEN1KMT2A
SCHEMBL9430823 0.71 MEN1 (0.35) ELANEEPHX2MEN1FAAHCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869938-B1 NOVEL VINYL SULFIDE COMPOUNDS AND A PROCESS FOR THEIR PREPARATION LUMIGEN INC (US) 2002-10-16 EP disclosed
EP-0842168-B1 PROCESS FOR THE PREPARATION OF 1,2-DIOXETANE COMPOUNDS AND NOVEL SULFUR-SUBSTITUTED 1,2-DIOXETANE COMPOUNDS AS INTERMEDIATES LUMIGEN INC (US) 2002-02-20 EP disclosed