SCHEMBL13839136

SCHEMBL13839136

Oc1ccccc1CCc1ccc(CC2c3ccccc3Oc3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
KEAP1 Q14145 1/20 0.36
GRM8 O00222 1/20 0.35
GRM7 Q14831 1/20 0.35
GRM4 Q14833 1/20 0.35
MPO P05164 5/20 0.35
HTT P42858 1/20 0.35
HSPA5 P11021 1/20 0.34
ATM Q13315 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 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
SCHEMBL2736393 0.81 MAOA (0.50) MAOAMAOBATMLMNAMEN1
SCHEMBL79265 0.76 MAOA (0.48) MAOAMAOBGRM8GRM7GRM4
SCHEMBL31545658 0.74 LMNA (0.41) MAOAMAOBGRM8GRM7GRM4
SCHEMBL3625458 0.70 KEAP1 (0.67) TAAR1KEAP1MPOHSPA5
SCHEMBL9633190 0.70 CYP1A2 (0.51) GRM8GRM7GRM4ATMLMNA
SCHEMBL9719337 0.70 MEN1 (0.45) MAOAMAOBHTTATMLMNA
SCHEMBL987688 0.70 MPO (0.60) TAAR1KEAP1MPOHSPA5
SCHEMBL2885969 0.70 HTT (0.44) MAOAMAOBGRM8GRM7HTT
SCHEMBL30468688 0.69 MPO (0.58) TAAR1KEAP1MPOHSPA5
Potassium SCHEMBL30848210 0.69 MPO (0.58) TAAR1KEAP1MPOHSPA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090121627-A1 AROMATIC CHALCOGEN COMPOUNDS AND THEIR USE E. I. DU PONT DE NEMOURS AND COMPANY 2009-05-14 US disclosed