SCHEMBL29948801

SCHEMBL29948801

CCCCc1ccccc1B(O)O

nearest known ligand 0.85

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 7/20 0.85
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
PCSK9 Q8NBP7 1/20 0.44
LPL P06858 6/20 0.42
TYR P14679 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
MGLL Q99685 1/20 0.41
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
TLR8 Q9NR97 1/20 0.40

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
SCHEMBL1128560 1.00 LIPG (0.85) LIPGCA1CA2CYP3A4CYP2D6
SCHEMBL747937 0.94 LIPG (0.96) LIPGLPLTRPV1MGLLALOX5
SCHEMBL29670235 0.94 LIPG (0.96) LIPGLPLTRPV1MGLLALOX5
SCHEMBL31403378 0.92 LIPG (1.00) LIPGCYP3A4LPLTYRTRPV1
SCHEMBL31591938 0.92 LIPG (1.00) LIPGCYP3A4LPLTYRTRPV1
SCHEMBL6153283 0.92 LIPG (1.00) LIPGCYP3A4LPLTYRTRPV1
SCHEMBL4449189 0.92 LIPG (1.00) LIPGCYP3A4LPLTYRTRPV1
Methyl Alcohol SCHEMBL28643289 0.92 LIPG (0.92) LIPGLPLTRPV1MGLLALOX5
SCHEMBL435360 0.92 LIPG (1.00) LIPGCYP3A4LPLTYRTRPV1
SCHEMBL11415024 0.92 LIPG (1.00) LIPGCYP3A4LPLTYRTRPV1

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
WO-2022203323-A1 SUBSTANCE FOR FORMING NUCLEATION INHIBITION AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 랩토 2022-09-29 WO disclosed