SCHEMBL29953890

SCHEMBL29953890

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.43
KMT2A Q03164 3/20 0.41
PDK2 Q15119 1/20 0.40
MEN1 O00255 2/20 0.40
KAT6A Q92794 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
MAPT P10636 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
MAOB P27338 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
SCHEMBL8405356 0.93 LTA4H (0.43) LTA4HKMT2APDK2MEN1CA12
SCHEMBL29955018 0.93 LTA4H (0.43) LTA4HKMT2APDK2MEN1CA12
SCHEMBL6556182 0.90 NR5A1 (0.49) LTA4HPDK2
SCHEMBL29955228 0.90 NR5A1 (0.49) LTA4HPDK2
SCHEMBL9493283 0.89 NR5A1 (0.51) LTA4HPDK2
SCHEMBL8220604 0.89 NR5A1 (0.51) LTA4HPDK2
SCHEMBL30620165 0.89 NR5A1 (0.51) LTA4HPDK2
SCHEMBL8209170 0.89 NR5A1 (0.51) LTA4HPDK2
SCHEMBL6656507 0.89 NR5A1 (0.51) LTA4HPDK2
SCHEMBL1676909 0.86 LTA4H (0.43) LTA4HKMT2APDK2MEN1KAT6A

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