SCHEMBL6987856

SCHEMBL6987856

Clc1ccc([CH]Cc2cccc(OCc3ccccc3)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.56
MAOA P21397 3/20 0.56
LCK P06239 1/20 0.54
NR4A2 P43354 1/20 0.51
BCHE P06276 2/20 0.50
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TLR4 O00206 1/20 0.48
TLR2 O60603 1/20 0.48
CCNB2 O95067 1/20 0.48
CDK1 P06493 1/20 0.48
CDK4 P11802 1/20 0.48
CCNB1 P14635 1/20 0.48
CCND1 P24385 1/20 0.48
CCNB3 Q8WWL7 1/20 0.48

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
SCHEMBL8710346 0.90 MAOB (0.69) MAOBMAOALCKNR4A2BCHE
SCHEMBL6987590 0.86 MAOB (0.54) MAOBMAOALCKNR4A2BCHE
SCHEMBL6993494 0.86 MAOB (0.59) MAOBMAOALCKNR4A2BCHE
SCHEMBL8674540 0.85 MAOB (0.71) MAOBMAOALCKBCHECYP4F2
SCHEMBL7813380 0.84 MAOB (0.63) MAOBMAOALCKBCHECYP4F2
SCHEMBL6077087 0.81 SMN1; SMN2 (0.48) MEN1KMT2AMAPK1HTTSMN1; SMN2
SCHEMBL27795603 0.79 MAOB (0.56) MAOBMAOANR4A2BCHECYP4F2
SCHEMBL7817239 0.79 MAOB (0.60) MAOBMAOALCKNR4A2BCHE
SCHEMBL8196750 0.78 G6PC1 (0.49) MAOBBCHEMEN1KMT2A
SCHEMBL9785748 0.77 PPARG (0.51) MAOBMAOALCKHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322617-A1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2003-07-02 EP disclosed
WO-2002024653-A1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2002-03-28 WO disclosed
EP-1163225-A1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2001-12-19 EP disclosed
WO-2000055137-A1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed