SCHEMBL4199808

SCHEMBL4199808

CN(C)C(=Cc1ccccc1)c1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.58
ESR2 Q92731 5/20 0.46
CYP19A1 P11511 3/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH2 P05091 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
HSPD1 P10809 1/20 0.43
F3 P13726 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
HSPE1 P61604 1/20 0.43
CYP1B1 Q16678 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP2D6 P10635 1/20 0.41
G6PC1 P35575 1/20 0.40
CES2 O00748 1/20 0.39

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
SCHEMBL7904469 0.92 ESR1 (0.45) ESR1MEN1KMT2AMAPTCYP1B1
SCHEMBL2845203 0.88 AKR1C1 (0.45) ESR1MEN1KMT2AMAPTCYP2D6
SCHEMBL7944757 0.82 ALDH1A1 (0.48) ESR1MEN1KMT2AMAPTCYP2D6
SCHEMBL305384 0.80 CYP19A1 (0.50) CYP19A1MEN1KMT2ACYP3A4MAPT
Hydrochloric Acid SCHEMBL9803951 0.79 CYP19A1 (0.49) CYP19A1MEN1KMT2ACYP3A4MAPT
SCHEMBL27808829 0.77 CYP1B1 (0.47) MEN1KMT2ACYP3A4MAPTCYP1B1
SCHEMBL2126763 0.77 CYP1B1 (0.52) MEN1KMT2AMAPTMAOBCYP1B1
SCHEMBL2992588 0.75 LCK (0.41) ESR1MEN1KMT2AMAPTCES2
SCHEMBL2992590 0.75 LCK (0.41) ESR1MEN1KMT2AMAPTCES2
SCHEMBL8089190 0.75 ESR1 (0.80) ESR1ESR2CYP19A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1841465-A4 STILBENE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES UNIV PENNSYLVANIA (US) 2009-04-01 EP disclosed
EP-1841465-A2 STILBENE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES The Trustees of The University of Pennsylvania (US) 2007-10-10 EP disclosed
WO-2006066104-A2 STILBENE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2006-06-22 WO disclosed