SCHEMBL7523253

SCHEMBL7523253

O=C(C1C2CC3CC(C2)CC1(c1cccc(O)c1)C3)C1C2CC3CC(C2)CC1(c1cccc(O)c1)C3

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.45
EPHX2 P34913 1/20 0.43
OPRM1 P35372 5/20 0.39
OPRK1 P41145 4/20 0.39
OPRD1 P41143 3/20 0.39
HSP90AA1 P07900 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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 0.82 MEN1 (0.50) FAAHEPHX2MEN1KMT2A
SCHEMBL7523266 0.79 FAAH (0.41) FAAHEPHX2OPRM1OPRK1OPRD1
SCHEMBL7523786 0.77 ELANE (0.38) FAAHEPHX2MEN1KMT2A
SCHEMBL5475255 0.74 HSD11B1 (0.44) FAAHEPHX2MEN1KMT2A
SCHEMBL7523248 0.74 EPHX2 (0.43) FAAHEPHX2MEN1KMT2A
SCHEMBL419753 0.73 MEN1 (0.59) FAAHEPHX2OPRM1OPRK1OPRD1
SCHEMBL15220087 0.69 ALOX5AP (0.46) FAAHEPHX2OPRM1OPRK1OPRD1
SCHEMBL8077581 0.69 OPRM1 (0.45) OPRM1OPRK1OPRD1
SCHEMBL29151362 0.66 KDM1A (0.46) EPHX2OPRK1
SCHEMBL30688050 0.66 KDM1A (0.46) EPHX2OPRK1

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