SCHEMBL29951823

SCHEMBL29951823

CCCCCOc1ccc(B(O)O)s1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.40
LTA4H P09960 2/20 0.38
TSHR P16473 3/20 0.37
LIPG Q9Y5X9 5/20 0.36
LPL P06858 4/20 0.36
TP53 P04637 2/20 0.36
TRPV1 Q8NER1 1/20 0.35
MGLL Q99685 1/20 0.35
PLA2G4B P0C869 1/20 0.35
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL29954952 0.82 TSHR (0.42) LTA4HTSHR
SCHEMBL2560974 0.75 CYP3A4 (0.48) NR5A1LTA4HTSHRTP53PLA2G4B
SCHEMBL2557359 0.75 LPL (0.44) NR5A1LTA4HLIPGLPLTRPV1
SCHEMBL14769938 0.73 NR5A1 (0.43) NR5A1LTA4HTSHRTP53PLA2G4B
SCHEMBL17037817 0.73 NR5A1 (0.43) NR5A1LTA4HTSHRTP53PLA2G4B
SCHEMBL2622421 0.73 NR5A1 (0.43) NR5A1LTA4HTSHRTP53PLA2G4B
SCHEMBL9666746 0.72 NR5A1 (0.43) NR5A1LTA4HTSHRTP53PLA2G4B
SCHEMBL28333609 0.71 NR5A1 (0.42) NR5A1LTA4HTSHRTP53PLA2G4B
SCHEMBL28336043 0.71 NR5A1 (0.42) NR5A1LTA4HTSHRTP53PLA2G4B
SCHEMBL29951913 0.71 LIPG (0.46) TSHRLIPGLPLTP53TRPV1

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