SCHEMBL29956072

SCHEMBL29956072

CCCCCCCOCc1ccc(F)c(B(O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 6/20 0.40
LPL P06858 5/20 0.40
TRPV1 Q8NER1 1/20 0.40
MGLL Q99685 1/20 0.40
PLA2G4B P0C869 2/20 0.39
RARB P10826 1/20 0.38
NR5A1 Q13285 1/20 0.37
PLA2G2D Q9UNK4 1/20 0.36
ESR1 P03372 2/20 0.36
ADRA2A P08913 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
TACR2 P21452 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL2556200 0.91 RARB (0.42) LIPGLPLPLA2G4BRARBALDH1A1
SCHEMBL29953260 0.82 SMPD1 (0.43) TRPV1THRATHRB
SCHEMBL13564083 0.80 LIPG (0.57) LIPGLPLTRPV1MGLLRARB
SCHEMBL29954064 0.77 LPL (0.62) LIPGLPLTRPV1MGLLPLA2G4B
SCHEMBL29957976 0.76 TSHR (0.48) ALDH1A1
SCHEMBL29955524 0.75 LPL (0.66) LIPGLPLTRPV1MGLLPLA2G4B
SCHEMBL29953292 0.74 LIPG (0.40) LIPGLPLNR5A1PLA2G2DTHRB
SCHEMBL29951761 0.73 LIPG (0.42) LIPGLPLTRPV1MGLLNR5A1
SCHEMBL1840226 0.73 NR5A1 (0.61) PLA2G4BNR5A1ESR1ADRA2AADORA3
SCHEMBL1837816 0.73 NR5A1 (0.61) PLA2G4BNR5A1ESR1ADRA2AADORA3

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