SCHEMBL29951685

SCHEMBL29951685

CCCCCc1ccc(B(O)O)c(F)c1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 7/20 0.56
TYR P14679 3/20 0.46
ALOX5 P09917 2/20 0.46
TP53 P04637 2/20 0.46
CYP3A4 P08684 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LPL P06858 6/20 0.44
TRPV1 Q8NER1 1/20 0.43
MGLL Q99685 1/20 0.43
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
PTGS2 P35354 2/20 0.36
ESR1 P03372 2/20 0.35
ADRA2A P08913 2/20 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
SCHEMBL5892520 1.00 LIPG (0.56) LIPGTYRALOX5TP53CYP3A4
SCHEMBL29952781 0.98 LIPG (0.59) LIPGTYRALOX5TP53CYP3A4
SCHEMBL6291363 0.98 LIPG (0.59) LIPGTYRALOX5TP53CYP3A4
SCHEMBL4823612 0.98 LIPG (0.59) LIPGTYRALOX5TP53CYP3A4
SCHEMBL7876139 0.98 LIPG (0.59) LIPGTYRALOX5TP53CYP3A4
SCHEMBL8746456 0.98 LIPG (0.59) LIPGTYRALOX5TP53CYP3A4
SCHEMBL29957652 0.98 LIPG (0.59) LIPGTYRALOX5TP53CYP3A4
SCHEMBL7876152 0.98 LIPG (0.59) LIPGTYRALOX5TP53CYP3A4
SCHEMBL3140999 0.95 LIPG (0.49) LIPGTYRALOX5TP53CYP3A4
SCHEMBL7208785 0.91 LIPG (0.51) LIPGTYRALOX5TP53CYP3A4

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed