SCHEMBL2660650

SCHEMBL2660650

CC=Cc1ccc[c]c1C=Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHAT P28329 6/20 0.40
NFE2L2 Q16236 4/20 0.40
TRPA1 O75762 3/20 0.40
RELA Q04206 1/20 0.35
MAOB P27338 2/20 0.34
CYP19A1 P11511 1/20 0.34
MAOA P21397 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
KDM4E B2RXH2 1/20 0.33
APOBEC3A P31941 1/20 0.33
RAB9A P51151 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33

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
SCHEMBL288182 0.89 NFE2L2 (0.48) CHATNFE2L2TRPA1MAOBCYP19A1
SCHEMBL288181 0.89 NFE2L2 (0.48) CHATNFE2L2TRPA1MAOBCYP19A1
SCHEMBL729545 0.85
SCHEMBL729544 0.85
SCHEMBL482795 0.70 APLNR (0.33)
SCHEMBL335864 0.70
Benzene SCHEMBL1225177 0.70 MAOB (0.58) CHATNFE2L2TRPA1RELAMAOB
SCHEMBL2342 0.70
SCHEMBL28967 0.70
Benzene SCHEMBL1225180 0.70 MAOB (0.58) CHATNFE2L2TRPA1RELAMAOB

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-2129654-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR Metabasis Therapeutics, Inc. (US) 2009-12-09 EP disclosed
WO-2008098244-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS, INC. (US) 2008-08-14 WO disclosed