SCHEMBL18801276

SCHEMBL18801276

CCN(CC)CCCc1ccccc1SCc1ccc(-c2ccoc2)c(OC)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 10/20 0.42
SCN1A P35498 3/20 0.34
SCN2A Q99250 3/20 0.34
SCN3A Q9NY46 3/20 0.34
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
BCHE P06276 1/20 0.32
PPARA Q07869 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL18801101 0.92 METAP2 (0.39) METAP2SCN1ASCN2ASCN3AFABP4
SCHEMBL18801427 0.86 METAP2 (0.42) METAP2SCN1ASCN2ASCN3ABCHE
SCHEMBL18801044 0.86 METAP2 (0.44) METAP2FABP4FABP5LMNAHTT
SCHEMBL1648930 0.83 METAP2 (0.47) METAP2FABP4FABP5
SCHEMBL18801150 0.82 METAP2 (0.48) METAP2FABP4FABP5L3MBTL1
SCHEMBL18801061 0.82 METAP2 (0.43) METAP2FABP4FABP5LMNA
SCHEMBL1649341 0.80 METAP2 (0.47) METAP2FABP4FABP5PPARAL3MBTL1
SCHEMBL18801365 0.80 METAP2 (0.39) METAP2LMNAHTT
SCHEMBL18801358 0.79 METAP2 (0.38) METAP2SCN1ASCN2ASCN3ABCHE
SCHEMBL18801045 0.77 ALDH1A1 (0.44) METAP2LMNAHTT

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
EP-2486004-B1 SULPHONE COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY ZAFGEN INC (US) 2017-05-03 EP disclosed