SCHEMBL4449189

SCHEMBL4449189

CCCCCCCCc1ccccc1B(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 7/20 1.00
LPL P06858 6/20 0.52
TRPV1 Q8NER1 1/20 0.52
MGLL Q99685 1/20 0.52
BID P55957 3/20 0.47
MCL1 Q07820 3/20 0.47
BCL2L1 Q07817 2/20 0.47
BAK1 Q16611 2/20 0.47
KAT8 Q9H7Z6 2/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
EP300 Q09472 1/20 0.47
KAT2A Q92830 1/20 0.47
KAT2B Q92831 1/20 0.47
KAT5 Q92993 1/20 0.47
SAE1 Q9UBE0 1/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46

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
SCHEMBL11415024 1.00 LIPG (1.00) LIPGLPLTRPV1MGLLBID
SCHEMBL29670093 1.00 LIPG (1.00) LIPGLPLTRPV1MGLLBID
SCHEMBL31591938 1.00 LIPG (1.00) LIPGLPLTRPV1MGLLBID
SCHEMBL31403378 1.00 LIPG (1.00) LIPGLPLTRPV1MGLLBID
SCHEMBL6153283 1.00 LIPG (1.00) LIPGLPLTRPV1MGLLBID
SCHEMBL435360 1.00 LIPG (1.00) LIPGLPLTRPV1MGLLBID
SCHEMBL29670235 0.98 LIPG (0.96) LIPGLPLTRPV1MGLLBID
SCHEMBL747937 0.98 LIPG (0.96) LIPGLPLTRPV1MGLLBID
Methyl Alcohol SCHEMBL28643289 0.96 LIPG (0.92) LIPGLPLTRPV1MGLLBID
SCHEMBL15745852 0.94 LIPG (0.88) LIPGLPLTRPV1MGLLBID

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
EP-2086974-A2 DIIMIDE-BASED SEMICONDUCTOR MATERIALS AND METHODS OF PREPARING AND USING THE SAME Polyera Corporation (US) 2009-08-12 EP disclosed
WO-2008063609-A2 DIIMIDE-BASED SEMICONDUCTOR MATERIALS AND METHODS OF PREPARING AND USING THE SAME POLYERA CORPORATION (US) 2008-05-29 WO disclosed