SCHEMBL851175

SCHEMBL851175

C#CC(=O)c1ccc(COc2ccc(C(=O)C#C)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.61
PTPRC P08575 1/20 0.59
PTPN2 P17706 1/20 0.59
PTPN1 P18031 1/20 0.59
NR4A2 P43354 3/20 0.54
NR4A1 P22736 1/20 0.54
NR4A3 Q92570 1/20 0.54
MAOB P27338 6/20 0.54
RXRA P19793 3/20 0.54
RXRB P28702 3/20 0.54
NPC1 O15118 1/20 0.54
POLB P06746 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAOA P21397 1/20 0.53
F2 P00734 1/20 0.51
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
TMPRSS6 Q8IU80 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
SCHEMBL12045708 1.00 PARP10 (0.61) PARP10PTPRCPTPN2PTPN1NR4A2
SCHEMBL12045717 0.87 PTPRC (0.63) PARP10PTPRCPTPN1NR4A2NR4A1
SCHEMBL851386 0.83 MAPT (0.53) PARP10MAOBRAB9APRSS1
SCHEMBL12045721 0.83 L3MBTL1 (0.41) PARP10PTPRCPTPN2PTPN1NR4A2
SCHEMBL839231 0.80 NR4A2 (0.60) PTPN1NR4A2NR4A1NR4A3MAOB
SCHEMBL28516246 0.80 PARP10 (0.59) PARP10MAOBNPC1RAB9AMAOA
SCHEMBL841269 0.80 GAA (0.59) MAOBMAOAF2PRSS1ST14
SCHEMBL839292 0.79 RARB (0.49) PARP10MAOBRAB9APRSS1
SCHEMBL8134318 0.77 NR4A2 (0.85) PARP10PTPRCPTPN2PTPN1NR4A2
SCHEMBL23067275 0.77 SMN1; SMN2 (0.52) RXRANPC1POLBRAB9ASMN1; SMN2

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