SCHEMBL9307797

SCHEMBL9307797

C=CCc1c(O)ccc(-c2cc(-c3ccc(O)c(CC=C)c3CC=C)cc(-c3ccc(O)c(CC=C)c3CC=C)c2)c1CC=C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 8/20 0.50
GABRB2 P47870 8/20 0.50
CNR2 P34972 3/20 0.50
MEN1 O00255 2/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
CNR1 P21554 2/20 0.50
KMT2A Q03164 2/20 0.50
AKR1B1 P15121 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH2 P05091 1/20 0.50
HPGD P15428 1/20 0.50
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
XDH P47989 2/20 0.47
ALOX5 P09917 4/20 0.44
POLB P06746 2/20 0.44
SRD5A1 P18405 1/20 0.44

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
SCHEMBL6013229 0.87 GABRA1 (0.52) GABRA1GABRB2CNR2MEN1GAA
SCHEMBL323547 0.85 XDH (0.54) GABRA1GABRB2CNR2MEN1GAA
SCHEMBL6009677 0.85 GABRA1 (0.47) GABRA1GABRB2CNR2MEN1GAA
Hydrogen Sulfide SCHEMBL6721312 0.83 XDH (0.52) GABRA1GABRB2CNR2MEN1GAA
SCHEMBL1354945 0.78 GABRA1 (0.48) GABRA1GABRB2CNR2MEN1GAA
SCHEMBL11037594 0.76 GABRA1 (0.58) GABRA1GABRB2CNR2MEN1GAA
SCHEMBL45432 0.75 GABRA1 (0.53) GABRA1GABRB2CNR2MEN1GAA
SCHEMBL28274016 0.75 SRD5A1 (0.46) GABRA1GABRB2CNR2MEN1GAA
SCHEMBL28947809 0.74 AKR1B1 (0.45) GABRA1GABRB2CNR2MEN1GAA
SCHEMBL10454553 0.74 GABRA1 (0.62) GABRA1GABRB2CNR2MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-1993014065-A1 PROCESS FOR PREPARING 1,3,5- TRIS(4'-HYDROXYPHENYL)BENZENE AND ITS DERIVATIVES HOECHST CELANESE CORPORATION (US) 1993-07-22 WO disclosed