SCHEMBL1420156

SCHEMBL1420156

COc1c[c]c(-c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.50
GSTP1 P09211 1/20 0.48
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS2 P35354 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
BCHE P06276 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
MAOA P21397 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL8161084 0.91 GSTP1 (0.57) MAOBGSTP1LMNACYP1A2PTGS1
SCHEMBL6417992 0.82 CA4 (0.44) LMNACYP1A2MEN1KMT2ARAB9A
SCHEMBL8591645 0.79 CA1 (0.48) MAOBPTGS2KMT2ARAB9ASMN1; SMN2
SCHEMBL791985 0.79 MAOB (0.69) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL6201495 0.78 MAOB (0.51) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL27574044 0.78 LMNA (0.53) MAOBGSTP1LMNACYP1A2PTGS1
SCHEMBL8161024 0.78 GSTP1 (0.43) MAOBGSTP1LMNACYP1A2PTGS1
SCHEMBL19091938 0.76 GSTP1 (0.63) MAOBGSTP1BCHEMEN1KMT2A
SCHEMBL1420029 0.76 ESR2 (0.59) MEN1KMT2ARAB9ASMN1; SMN2GAA
SCHEMBL20367158 0.76 GSTP1 (0.63) MAOBGSTP1BCHEMEN1KMT2A

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-2297133-A1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS Envivo Pharmaceuticals, Inc. (US) 2011-03-23 EP disclosed
WO-2009158393-A1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2009-12-30 WO disclosed