SCHEMBL7996514

SCHEMBL7996514

Oc1ccc(-c2cc(-c3ccc(O)cc3)n(Cc3ccccc3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.56
MAPT P10636 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
STAT3 P40763 2/20 0.54
GALR3 O60755 1/20 0.54
GAA P10253 1/20 0.54
NPY1R P25929 1/20 0.54
NPY2R P49146 1/20 0.54
MGLL Q99685 2/20 0.51
ESR1 P03372 2/20 0.50
TDP1 Q9NUW8 1/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 2/20 0.48
SLC16A3 O15427 2/20 0.47
MALT1 Q9UDY8 1/20 0.47
SLC16A1 P53985 1/20 0.46
MCTS1 Q9ULC4 1/20 0.46
MARS1 P56192 1/20 0.45
TP53 P04637 2/20 0.45

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
SCHEMBL5221734 0.88 MTOR (0.46) SMN1; SMN2MAPTMEN1KMT2ASTAT3
SCHEMBL3631457 0.81 SMN1; SMN2 (0.56) SMN1; SMN2MAPTMEN1KMT2ASTAT3
SCHEMBL7995817 0.81 MAPT (0.63) SMN1; SMN2MAPTMEN1KMT2ASTAT3
SCHEMBL7041015 0.79 SMN1; SMN2 (0.66) SMN1; SMN2MAPTMEN1KMT2ASTAT3
SCHEMBL3858531 0.76 POLB (0.69) SMN1; SMN2MAPTMEN1KMT2APOLB
SCHEMBL17853353 0.75 POLB (0.71) SMN1; SMN2MAPTMEN1KMT2ASTAT3
SCHEMBL26980565 0.75 SMN1; SMN2 (0.52) SMN1; SMN2MAPTMEN1KMT2ASTAT3
SCHEMBL17279807 0.74 ESRRA (0.58) MAPTMEN1KMT2ASTAT3POLB
SCHEMBL8011425 0.74 MGLL (0.53) SMN1; SMN2MAPTMEN1KMT2AMGLL
SCHEMBL17279999 0.73 SMN1; SMN2 (0.50) SMN1; SMN2MAPTMEN1KMT2ASTAT3

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
WO-2000019994-A9 ESTROGEN RECEPTOR LIGANDS UNIV ILLINOIS (US) 2000-08-31 WO disclosed
WO-2000019994-A1 ESTROGEN RECEPTOR LIGANDS BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2000-04-13 WO disclosed