SCHEMBL841269

SCHEMBL841269

C#CC(=O)c1ccc(OCCCCCCOc2ccc(C(=O)C#C)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.56
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
MAOB P27338 2/20 0.52
PLA2G4B P0C869 1/20 0.51
PRMT1 Q99873 3/20 0.50
F2 P00734 2/20 0.50
ST14 Q9Y5Y6 2/20 0.50
PLAU P00749 1/20 0.50
PRMT5 O14744 1/20 0.50
SLC22A2 O15244 1/20 0.50
SLC22A1 O15245 1/20 0.50
TMPRSS2 O15393 1/20 0.50
PTP4A3 O75365 1/20 0.50
SLC22A3 O75751 1/20 0.50
F10 P00742 1/20 0.50
PLG P00747 1/20 0.50
S100B P04271 1/20 0.50
CHRM2 P08172 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
SCHEMBL851386 0.92 MAPT (0.53) GAAL3MBTL1TP53TSHRMAOB
SCHEMBL8813448 0.92 TP53 (0.67) GAATP53TSHRPLA2G4BRARB
SCHEMBL12045743 0.90 TP53 (0.64) GAAL3MBTL1TP53TSHRPLA2G4B
SCHEMBL839292 0.87 RARB (0.49) GAAL3MBTL1MAOBRARBPRSS1
SCHEMBL12045721 0.85 L3MBTL1 (0.41) GAAL3MBTL1MAOB
SCHEMBL28516246 0.81 PARP10 (0.59) L3MBTL1TSHRMAOBPLA2G4BMAOA
SCHEMBL12045720 0.80 L3MBTL1 (0.52) GAAL3MBTL1MAOBPLA2G4BF2
SCHEMBL851175 0.80 PARP10 (0.61) MAOBF2ST14MAOAPRSS1
SCHEMBL12045708 0.80 PARP10 (0.61) MAOBF2ST14MAOAPRSS1
SCHEMBL840149 0.80 PRSS1 (0.55) MAOBPLA2G4BHRH3PRSS1

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
US-8143465-B2 Soluble branched triaroylbenzene-based polymer and its synthetic method THE HONG KONG UNIVERSITY OF SCIENCE & TECHNOLOGY (CN) 2012-03-27 US disclosed
US-20060247410-A1 Soluble branched triaroylbenzene-based polymer and its synthetic method HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY, THE (HK) 2006-11-02 US disclosed