SCHEMBL8552397

SCHEMBL8552397

CCN1C(=O)CS(=O)(=O)c2ccc(C(=O)OC3=CC(=O)CCC3)cc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.37
CPT1B Q92523 2/20 0.37
CPT2 P23786 1/20 0.37
MAPT P10636 3/20 0.34
THRB P10828 1/20 0.34
TSHR P16473 2/20 0.33
KCNN4 O15554 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL8596033 0.83 CPT1A (0.45) CPT1ACPT1BCPT2MAPTTHRB
SCHEMBL8595363 0.78 CPT1A (0.51) CPT1ACPT1BCPT2MAPTTHRB
SCHEMBL8556373 0.75 CPT1A (0.37) CPT1ACPT1BCPT2MAPTTHRB
SCHEMBL30578029 0.68 MAPT (0.57) MAPTTSHRALDH1A1
SCHEMBL25440082 0.67 KMT2A (0.60) MAPTL3MBTL1ALDH1A1
SCHEMBL5415041 0.67 SMN1; SMN2 (0.56) MAPTKCNN4L3MBTL1ALDH1A1NPSR1
SCHEMBL15133252 0.65 MAPT (0.43) MAPTALDH1A1
SCHEMBL8348941 0.65 MAPT (0.32) MAPTALDH1A1
SCHEMBL6326309 0.65 ALDH1A1 (0.35) MAPTTSHRL3MBTL1ALDH1A1
SCHEMBL6942981 0.64 MAPT (0.60) MAPTTSHRALDH1A1

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-0846112-A1 BICYCLIC HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-06-10 EP disclosed
WO-1997008164-A1 BICYCLIC HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-03-06 WO disclosed