SCHEMBL8064927

SCHEMBL8064927

CCO[Si](CCCOc1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1)(OCC)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.42
KCNA3 P22001 1/20 0.39
LSS P48449 1/20 0.39
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP19A1 P11511 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
CYP1A2 P05177 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL2579282 0.86 KCNA3 (0.54) LTA4HKCNA3ALDH1A1SMN1; SMN2CHRNB2
SCHEMBL17476355 0.80 KCNA3 (0.55) LTA4HKCNA3ALDH1A1SMN1; SMN2CHRNB2
SCHEMBL17476373 0.80 KCNA3 (0.55) LTA4HKCNA3ALDH1A1SMN1; SMN2CHRNB2
SCHEMBL17476362 0.80 KCNA3 (0.55) LTA4HKCNA3ALDH1A1SMN1; SMN2CHRNB2
SCHEMBL17476369 0.80 KCNA3 (0.55) LTA4HKCNA3ALDH1A1SMN1; SMN2CHRNB2
SCHEMBL17476360 0.80 KCNA3 (0.55) LTA4HKCNA3ALDH1A1SMN1; SMN2CHRNB2
SCHEMBL4969446 0.80 KCNA3 (0.55) LTA4HKCNA3ALDH1A1SMN1; SMN2CHRNB2
SCHEMBL17476379 0.80 KCNA3 (0.55) LTA4HKCNA3ALDH1A1SMN1; SMN2CHRNB2
SCHEMBL20024179 0.78 SMN1; SMN2 (0.56) LTA4HALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL16248363 0.78 ALDH1A1 (0.41) LTA4HRAB9ANPC1ALDH1A1SMN1; SMN2

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
JP-2000119291-A ALKOXYSILYLATED BORIC SALT DERIVATIVE, PRODUCTION AND USE THEREOF NOF CORP 2000-04-25 JP disclosed