SCHEMBL7436003

SCHEMBL7436003

O=C(O)CCCN1CC(=O)N(C(S)CCc2ccccc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
MAPK1 P28482 1/20 0.42
ADRA1A P35348 1/20 0.42
HDAC4 P56524 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC1 Q13547 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
PTGER4 P35408 3/20 0.41
PTGER3 P43115 1/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
USP2 O75604 2/20 0.41

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
SCHEMBL7426522 0.93 MAPT (0.43) HDAC6HDAC3MAPK1ADRA1AHDAC4
SCHEMBL7428792 0.85 CYP2D6 (0.45) KMT2AENPP2POLBACE
SCHEMBL7435811 0.85 ACHE (0.41) SLC6A3MAPTMEN1USP2KMT2A
SCHEMBL7432645 0.81 ENPP2 (0.47) HDAC6SMN1; SMN2MAPTMEN1USP2
SCHEMBL7435994 0.79 MME (0.41) HDAC6HDAC3MAPK1ADRA1AHDAC4
SCHEMBL7445702 0.77 ACHE (0.40) HDAC6SLC6A3SMN1; SMN2MAPTMEN1
SCHEMBL7428456 0.76 PLA2G10 (0.45) SMN1; SMN2ENPP2KDM4EPOLBACE
SCHEMBL7446529 0.74 ACE (0.41) SMN1; SMN2MEN1KMT2AHTTPOLB
SCHEMBL7440468 0.74 POLB (0.37) SMN1; SMN2MAPTMEN1USP2KMT2A
SCHEMBL7440735 0.74 L3MBTL1 (0.42) HDAC1MEN1KMT2AGAAL3MBTL1

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