SCHEMBL9470255

SCHEMBL9470255

CCCCCCc1cc(B(O)O)c(CCCCCC)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 7/20 0.54
LPL P06858 6/20 0.42
TRPV1 Q8NER1 1/20 0.42
MGLL Q99685 1/20 0.42
ALOX5 P09917 4/20 0.41
TYR P14679 2/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGS2 P35354 6/20 0.38
HCAR2 Q8TDS4 1/20 0.35

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
SCHEMBL31274542 1.00 LIPG (0.54) LIPGLPLTRPV1MGLLALOX5
SCHEMBL560421 0.89 LIPG (0.66) LIPGLPLTRPV1MGLLALOX5
SCHEMBL17044883 0.89 LIPG (0.66) LIPGLPLTRPV1MGLLALOX5
SCHEMBL7031877 0.89 LIPG (0.66) LIPGLPLTRPV1MGLLALOX5
SCHEMBL4225017 0.85 ALOX5 (0.47) LIPGALOX5TYRCYP3A4MEN1
SCHEMBL21508896 0.85 ALOX5 (0.47) LIPGALOX5TYRCYP3A4MEN1
SCHEMBL1685341 0.85 ALOX5 (0.47) LIPGALOX5TYRCYP3A4MEN1
SCHEMBL3842135 0.85 ALOX5 (0.47) LIPGALOX5TYRCYP3A4MEN1
SCHEMBL2050571 0.85 ALOX5 (0.47) LIPGALOX5TYRCYP3A4MEN1
SCHEMBL351893 0.85 ALOX5 (0.47) LIPGALOX5TYRCYP3A4MEN1

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-5241044-A Soluble poly(p-phenylene)s EDISON POLYMER INNOVATION CORPORATION (US) 1993-08-31 US disclosed