SCHEMBL29958075

SCHEMBL29958075

CCCOc1ccc(F)c(B(O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.43
KAT6A Q92794 1/20 0.42
KMT2A Q03164 3/20 0.41
PDK2 Q15119 1/20 0.40
MEN1 O00255 2/20 0.40
MCL1 Q07820 1/20 0.40
PTPN7 P35236 1/20 0.40
DUSP3 P51452 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
PLK1 P53350 1/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL1676909 1.00 LTA4H (0.43) LTA4HKAT6AKMT2APDK2MEN1
SCHEMBL12537785 0.93 MCL1 (0.46) LTA4HKMT2APDK2MEN1MCL1
SCHEMBL29953890 0.86 LTA4H (0.43) LTA4HKAT6AKMT2APDK2MEN1
SCHEMBL1348419 0.86 NQO1 (0.46) LTA4HKAT6AKMT2AMEN1FFAR1
SCHEMBL3787854 0.81 LTA4H (0.44) LTA4HKMT2AMEN1CA12CA1
SCHEMBL2212307 0.80 LTA4H (0.46) LTA4HKAT6AKMT2APDK2MEN1
SCHEMBL23673443 0.79 FYN (0.34) CA1CA2FFAR1
SCHEMBL9945993 0.79 MCL1 (0.43) LTA4HMCL1CA12CA1CA2
SCHEMBL8405356 0.79 LTA4H (0.43) LTA4HKMT2APDK2MEN1MCL1
SCHEMBL29955018 0.79 LTA4H (0.43) LTA4HKMT2APDK2MEN1MCL1

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