SCHEMBL4338218

SCHEMBL4338218

ON=C1CCCCCCCCCCC1=NO

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
CASP1 P29466 1/20 0.56
KMT2A Q03164 2/20 0.52
CYP2D6 P10635 1/20 0.52
HPGD P15428 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
USP2 O75604 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32

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
SCHEMBL19875187 1.00 TSHR (0.56) TSHRCASP1KMT2ACYP2D6HPGD
SCHEMBL3809677 1.00 TSHR (0.56) TSHRCASP1KMT2ACYP2D6HPGD
SCHEMBL5956044 1.00 TSHR (0.56) TSHRCASP1KMT2ACYP2D6HPGD
SCHEMBL9810247 1.00 TSHR (0.56) TSHRCASP1KMT2ACYP2D6HPGD
SCHEMBL9810250 1.00 TSHR (0.56) TSHRCASP1KMT2ACYP2D6HPGD
SCHEMBL4186634 1.00 TSHR (0.56) TSHRCASP1KMT2ACYP2D6HPGD
SCHEMBL19875188 1.00 TSHR (0.56) TSHRCASP1KMT2ACYP2D6HPGD
SCHEMBL187817 0.96 KMT2A (0.54) TSHRCASP1KMT2ACYP2D6HPGD
SCHEMBL13609696 0.96 KMT2A (0.54) TSHRCASP1KMT2ACYP2D6HPGD
SCHEMBL467998 0.96 KMT2A (0.54) TSHRCASP1KMT2ACYP2D6HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015082592-A2 METHOD FOR PREPARING AMINOARYLBORANE COMPOUNDS OR DERIVATIVES THEREOF Universite de Bordeaux (FR) 2015-06-11 WO disclosed
EP-2881398-A1 Method for preparing aminoarylborane compounds or derivatives thereof Université de Bordeaux I (FR) 2015-06-10 EP disclosed
US-7608738-B2 Coammoxidation of ketones DEGUSSA AG (DE) 2009-10-27 US disclosed
US-20080249300-A1 Coammoxidation of Ketones DEGUSSA AG (DE) 2008-10-09 US disclosed