SCHEMBL7996428

SCHEMBL7996428

CCCCn1c(-c2ccc(OC)cc2)nc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.53
ALDH1A1 P00352 7/20 0.53
GAA P10253 4/20 0.53
TSHR P16473 2/20 0.53
LMNA P02545 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TEK Q02763 2/20 0.52
PDE4B Q07343 1/20 0.51
HSD17B10 Q99714 3/20 0.50
BCHE P06276 3/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
CNR2 P34972 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TLR8 Q9NR97 1/20 0.43

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
SCHEMBL8008240 0.92 KDM4E (0.63) KDM4EALDH1A1GAATSHRLMNA
SCHEMBL27207545 0.90 BCHE (0.58) KDM4EALDH1A1GAATSHRLMNA
SCHEMBL27241995 0.90 BCHE (0.58) KDM4EALDH1A1GAATSHRLMNA
SCHEMBL7995686 0.85 TEK (0.58) KDM4EALDH1A1GAATSHRLMNA
SCHEMBL10808273 0.84 BCHE (0.43) KDM4EALDH1A1GAATSHRLMNA
SCHEMBL27199775 0.84 LMNA (0.49) KDM4EALDH1A1GAATSHRLMNA
SCHEMBL8797108 0.83 DRD2 (0.49) KDM4EALDH1A1GAATSHRLMNA
SCHEMBL8011827 0.83 KDM4E (0.44) KDM4EALDH1A1GAATSHRLMNA
SCHEMBL18152846 0.82 TSHR (0.61) KDM4EALDH1A1TSHRPDE4BHSD17B10
SCHEMBL27237036 0.81 BCHE (0.53) KDM4EALDH1A1GAATSHRLMNA

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