SCHEMBL16061102

SCHEMBL16061102

CCCC(C)(C)[Si](C)(C)Oc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.35
CYP2D6 P10635 1/20 0.33
RIPK1 Q13546 1/20 0.33
CA4 P22748 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
PREP P48147 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
FDPS P14324 1/20 0.31
PPARA Q07869 1/20 0.31
ATM Q13315 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL7897758 0.84 ALDH1A1 (0.38) LTA4HCYP2D6RIPK1CA4L3MBTL1
SCHEMBL8946199 0.80 PPARA (0.41) LTA4HPREPPPARA
SCHEMBL8983426 0.79 PREP (0.36) LTA4HCYP2D6RIPK1CA4L3MBTL1
SCHEMBL2368966 0.76 PREP (0.45) LTA4HCYP2D6RIPK1CA4L3MBTL1
SCHEMBL8210276 0.75
Methylamine SCHEMBL7237290 0.72 PREP (0.42) LTA4HCYP2D6RIPK1CA4L3MBTL1
SCHEMBL2398717 0.71 LTA4H (0.41) LTA4HRIPK1CA4L3MBTL1NPSR1
SCHEMBL977952 0.71 KCNA3 (0.46) LTA4HCA4L3MBTL1CHRNB2CHRNB4
SCHEMBL431273 0.69 CA4 (0.42) LTA4HCA4L3MBTL1CHRNB2CHRNB4
SCHEMBL1452863 0.68 LTA4H (0.39) LTA4HRIPK1CA4L3MBTL1NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2971023-A2 METHODS OF USING NATURAL AND ENGINEERED ORGANISMS TO PRODUCE SMALL MOLECULES FOR INDUSTRIAL APPLICATION Kiverdi, Inc. (US) 2016-01-20 EP disclosed
WO-2014145194-A2 METHODS OF USING NATURAL AND ENGINEERED ORGANISMS TO PRODUCE SMALL MOLECULES FOR INDUSTRIAL APPLICATION KIVERDI, INC. (US) 2014-09-18 WO disclosed