SCHEMBL851386

SCHEMBL851386

C#CC(=O)c1ccc(OCCOc2ccc(C(=O)C#C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
PKM P14618 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 1/20 0.50
PARP10 Q53GL7 1/20 0.50
GAA P10253 2/20 0.48
RAB9A P51151 1/20 0.47
PRSS1 P07477 2/20 0.47
MAOB P27338 2/20 0.45
MAPK1 P28482 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
PLK1 P53350 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
SCHEMBL839292 0.94 RARB (0.49) MAPTPKML3MBTL1ALDH1A1PARP10
SCHEMBL841269 0.92 GAA (0.59) L3MBTL1GAAPRSS1MAOBTP53
SCHEMBL12045721 0.88 L3MBTL1 (0.41) MAPTPKML3MBTL1ALDH1A1PARP10
SCHEMBL12045720 0.87 L3MBTL1 (0.52) MAPTPKML3MBTL1ALDH1A1PARP10
SCHEMBL12045743 0.86 TP53 (0.64) L3MBTL1GAATP53TSHR
SCHEMBL8813448 0.85 TP53 (0.67) MAPTGAARAB9ATP53TSHR
SCHEMBL28516246 0.85 PARP10 (0.59) L3MBTL1ALDH1A1PARP10RAB9APRSS1
SCHEMBL851175 0.83 PARP10 (0.61) PARP10RAB9APRSS1MAOB
SCHEMBL12045708 0.83 PARP10 (0.61) PARP10RAB9APRSS1MAOB
SCHEMBL31599167 0.81 PARP10 (0.52) MAPTALDH1A1PARP10RAB9ATSHR

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 1 patent. 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