SCHEMBL3958235

SCHEMBL3958235

CCCOc1ccc(-c2ccc(B(O)O)c(F)c2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.41
MGAM O43451 4/20 0.39
GAA P10253 4/20 0.39
SI P14410 4/20 0.39
MGAM2 Q2M2H8 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
PLK1 P53350 1/20 0.38
ERN1 O75460 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL1574932 0.94 CYP2D6 (0.44) LTA4HFFAR1FFAR4RAB9ASMN1; SMN2
SCHEMBL4867819 0.90 NR5A1 (0.49) LTA4HGAAMEN1KMT2ARAB9A
SCHEMBL16937461 0.83 ALDH1A1 (0.37) MGAMGAASIMGAM2L3MBTL1
SCHEMBL9419256 0.82 LTA4H (0.47) LTA4HMGAMGAASIMGAM2
SCHEMBL9564006 0.81 FFAR1 (0.47) LTA4HGAAL3MBTL1FFAR1FFAR4
SCHEMBL26044941 0.80 SMN1; SMN2 (0.44) LTA4HKMT2AL3MBTL1RAB9ASMN1; SMN2
SCHEMBL9493860 0.80 NR5A1 (0.53) LTA4HL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL1461960 0.79 GSTP1 (0.51) LTA4HMGAMGAASIMGAM2
SCHEMBL9493822 0.79 LMNA (0.49) LTA4HMEN1KMT2AL3MBTL1RAB9A
SCHEMBL9563866 0.79 RARB (0.54) LTA4HL3MBTL1ALDH1A1KDM4EHPGD

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
WO-2009033532-A1 2,5-SELENOPHENE DERIVATIVES AND 2,5-TELLUROPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2009-03-19 WO disclosed