SCHEMBL9302496

SCHEMBL9302496

CC(=Nc1ccc(O)cc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.53
ESR2 Q92731 5/20 0.53
NOS3 P29474 3/20 0.52
NOS2 P35228 1/20 0.52
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
NPC1 O15118 2/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPT P10636 2/20 0.51
NFKB1 P19838 2/20 0.51
RAB9A P51151 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 2/20 0.51
HTT P42858 2/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
BRCA1 P38398 1/20 0.51

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
SCHEMBL15073401 0.91 NOS3 (0.52) NOS3NOS2MEN1KMT2AKDM4E
SCHEMBL9349552 0.89 ESR2 (0.60) ESR1ESR2NOS3NOS2MEN1
SCHEMBL1890792 0.87 NOS3 (0.58) ESR1ESR2NOS3MEN1KMT2A
SCHEMBL1890790 0.87 NOS3 (0.58) ESR1ESR2NOS3MEN1KMT2A
SCHEMBL8155649 0.87 NOS3 (0.58) ESR1ESR2NOS3MEN1KMT2A
SCHEMBL11421052 0.83 CYP2D6 (0.53) ESR2NOS3MEN1KMT2ANPC1
SCHEMBL11421050 0.83 CYP2D6 (0.53) ESR2NOS3MEN1KMT2ANPC1
SCHEMBL16382908 0.83 CYP2D6 (0.53) ESR2NOS3MEN1KMT2ANPC1
SCHEMBL15143942 0.82 NOS1 (0.55) ESR1ESR2NOS3MEN1KMT2A
SCHEMBL15137058 0.82 NOS1 (0.55) ESR1ESR2NOS3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5300698-A Process for the prepartion of 1,3,5-tris(4'-hydroxyaryl)benzene HOECHST CELANESE CORPORATION (US) 1994-04-05 US claimed
WO-1993014053-A1 PROCESS FOR THE PREPARATION OF 1,3,5-TRIS(4'-HYDROXYARYL)BENZENE HOECHST CELANESE CORPORATION (US) 1993-07-22 WO claimed
US-5344980-A Process for the preparation of 1,3,5-tris(4'-hydroxyaryl)benzene HOECHST CELANESE CORP. (US) 1994-09-06 US disclosed
US-5344980-A Process for the preparation of 1,3,5-tris(4'-hydroxyaryl)benzene HOECHST CELANESE CORP. (US) 1994-09-06 US disclosed
US-5300698-A Process for the prepartion of 1,3,5-tris(4'-hydroxyaryl)benzene HOECHST CELANESE CORPORATION (US) 1994-04-05 US disclosed
US-5300698-A Process for the prepartion of 1,3,5-tris(4'-hydroxyaryl)benzene HOECHST CELANESE CORPORATION (US) 1994-04-05 US disclosed
WO-1993014053-A1 PROCESS FOR THE PREPARATION OF 1,3,5-TRIS(4'-HYDROXYARYL)BENZENE HOECHST CELANESE CORPORATION (US) 1993-07-22 WO disclosed
WO-1993014053-A1 PROCESS FOR THE PREPARATION OF 1,3,5-TRIS(4'-HYDROXYARYL)BENZENE HOECHST CELANESE CORPORATION (US) 1993-07-22 WO disclosed