SCHEMBL29954064

SCHEMBL29954064

CCCCCCCCOCc1ccc(B(O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 8/20 0.62
LIPG Q9Y5X9 8/20 0.62
TRPV1 Q8NER1 2/20 0.62
MGLL Q99685 1/20 0.62
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
NR5A1 Q13285 1/20 0.42
PLA2G4B P0C869 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL1837816 0.82 NR5A1 (0.61) NR5A1PLA2G4BTDP1L3MBTL1ESR1
SCHEMBL1838767 0.82 NR5A1 (0.61) NR5A1PLA2G4BTDP1L3MBTL1ESR1
SCHEMBL1838593 0.82 NR5A1 (0.61) NR5A1PLA2G4BTDP1L3MBTL1ESR1
SCHEMBL1835401 0.82 NR5A1 (0.61) NR5A1PLA2G4BTDP1L3MBTL1ESR1
SCHEMBL1836980 0.82 NR5A1 (0.61) NR5A1PLA2G4BTDP1L3MBTL1ESR1
SCHEMBL1840226 0.82 NR5A1 (0.61) NR5A1PLA2G4BTDP1L3MBTL1ESR1
SCHEMBL1836174 0.82 NR5A1 (0.61) NR5A1PLA2G4BTDP1L3MBTL1ESR1
SCHEMBL29955524 0.81 LPL (0.66) LPLLIPGTRPV1MGLLCA1
SCHEMBL9281683 0.81 MEN1 (0.47) NR5A1PLA2G4BTDP1L3MBTL1ESR1
SCHEMBL11141952 0.81 MEN1 (0.47) NR5A1PLA2G4BTDP1L3MBTL1ESR1

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