SCHEMBL7995817

SCHEMBL7995817

COc1ccc(-c2cc(-c3ccc(OC)cc3)n(Cc3ccccc3)n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
ADORA2A P29274 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
ASIC1 P78348 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 2/20 0.50
MDM2 Q00987 2/20 0.50
MEN1 O00255 1/20 0.50
GALR3 O60755 1/20 0.50

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
SCHEMBL23297368 0.83 PDE4B (0.71) MAPTADORA2AL3MBTL1PDE4APDE4B
SCHEMBL7726116 0.82 ADORA2A (0.61) MAPTADORA2ACYP1A2CYP3A4CYP2D6
SCHEMBL13734555 0.82 MAPT (0.56) MAPTADORA2ACYP1A2CYP3A4CYP2D6
SCHEMBL7996514 0.81 SMN1; SMN2 (0.56) MAPTSMN1; SMN2TP53MDM2MEN1
SCHEMBL19924937 0.81 SMN1; SMN2 (0.74) MAPTADORA2ACYP1A2CYP3A4CYP2D6
SCHEMBL7723670 0.80 MAPT (0.63) MAPTADORA2ACYP1A2CYP3A4CYP2D6
SCHEMBL14973090 0.79 MAPT (0.53) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7720271 0.78 MAPT (0.64) MAPTADORA2ANPC1RAB9APDE4A
SCHEMBL7724840 0.78 MAPT (0.61) MAPTADORA2ACYP1A2CYP3A4CYP2D6
SCHEMBL3841611 0.78 MAPT (0.70) MAPTL3MBTL1PDE4APDE4BPDE4C

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