SCHEMBL18801427

SCHEMBL18801427

CCN(CC)CCOc1ccccc1SCc1ccc(-c2ccoc2)c(OC)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.42
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A9 P48067 3/20 0.37
MCHR1 Q99705 4/20 0.35
PTPN1 P18031 1/20 0.35
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL18801358 0.93 METAP2 (0.38) METAP2ALDH1A1KDM4ELMNADRD2
SCHEMBL18801276 0.86 METAP2 (0.42) METAP2LMNABCHESCN1ASCN2A
SCHEMBL18801044 0.85 METAP2 (0.44) METAP2ALDH1A1KDM4ELMNADRD3
SCHEMBL1648737 0.83 METAP2 (0.46) METAP2ALDH1A1KDM4ELMNADRD2
SCHEMBL18801295 0.81 METAP2 (0.38) METAP2ALDH1A1KDM4ELMNAMEN1
SCHEMBL18801061 0.80 METAP2 (0.43) METAP2ALDH1A1KDM4ELMNAMEN1
SCHEMBL18801150 0.80 METAP2 (0.48) METAP2CYP3A4CYP2C9CYP2C19
SCHEMBL18801101 0.79 METAP2 (0.39) METAP2ACHESCN1ASCN2ASCN3A
SCHEMBL1649341 0.79 METAP2 (0.47) METAP2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL18801365 0.78 METAP2 (0.39) METAP2ALDH1A1KDM4ELMNADRD3

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