SCHEMBL7435811

SCHEMBL7435811

CCCCCN1CC(=O)N(C(S)CCc2ccccc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
ACE P12821 1/20 0.40
EEF2K O00418 1/20 0.39
POLB P06746 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 2/20 0.37
TLR8 Q9NR97 1/20 0.37
TAS2R8 Q9NYW2 1/20 0.37
MEN1 O00255 2/20 0.36
USP2 O75604 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL7436003 0.85 HDAC6 (0.42) ACEPOLBHTTMEN1USP2
SCHEMBL7432645 0.82 ENPP2 (0.47) POLBCYP2D6CYP2C9TSHRCYP2C19
SCHEMBL7426522 0.82 MAPT (0.43) ACHEPOLBTSHRHTTMEN1
SCHEMBL7445702 0.81 ACHE (0.40) ACHEPOLBTSHRHTTMEN1
SCHEMBL7428792 0.79 CYP2D6 (0.45) ACEPOLBCYP3A4CYP2D6CYP2C9
SCHEMBL7435831 0.76 ACHE (0.40) ACHEACEPOLBTSHRHTT
SCHEMBL7440735 0.74 L3MBTL1 (0.42) MEN1KMT2AGAAL3MBTL1ENPP2
SCHEMBL7428456 0.74 PLA2G10 (0.45) ACEPOLBKDM4EENPP2HSD17B2
SCHEMBL7426794 0.73 POLB (0.37) POLBHTTMEN1USP2MAPT
SCHEMBL7446529 0.72 ACE (0.41) ACEPOLBTSHRHTTMEN1

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-0640594-A1 Hydantoin derivative as metalloprotease inhibitor FUJIREBIO INC. (JP) 1995-03-01 EP disclosed