SCHEMBL29952385

SCHEMBL29952385

CCOc1ccc(F)c(B(O)O)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
FGFR2 P21802 1/20 0.38
KDM1A O60341 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 1/20 0.34
TUBB1 Q9H4B7 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL1069183 1.00 L3MBTL1 (0.39) L3MBTL1FGFR2KDM1AALDH1A1HTT
SCHEMBL4885889 0.87 L3MBTL1 (0.42) L3MBTL1FGFR2KDM1AALDH1A1HTT
SCHEMBL29951562 0.86 MAPT (0.37) L3MBTL1ALDH1A1HTTHPGDPDE4D
SCHEMBL6522773 0.86 MAPT (0.37) L3MBTL1ALDH1A1HTTHPGDPDE4D
SCHEMBL29955291 0.86 L3MBTL1 (0.39) L3MBTL1FGFR2KDM1AALDH1A1HTT
SCHEMBL6523780 0.85 CYP1A2 (0.38) L3MBTL1ALDH1A1CYP1A2CYP2C19TDP1
SCHEMBL29954273 0.83 TSHR (0.39) L3MBTL1FGFR2KDM1AALDH1A1HTT
SCHEMBL16668301 0.83 TSHR (0.39) L3MBTL1FGFR2KDM1AALDH1A1HTT
SCHEMBL16687403 0.83 HPGD (0.41) L3MBTL1KDM1AALDH1A1HTTTSHR
SCHEMBL425604 0.79 L3MBTL1 (0.38) L3MBTL1FGFR2KDM1AALDH1A1TSHR

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