SCHEMBL7440468

SCHEMBL7440468

CC(C)(C(=O)O)N1CC(=O)N(C(S)CCc2ccccc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
HSD17B2 P37059 1/20 0.36
CNR2 P34972 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 3/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 2/20 0.34
HTT P42858 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7445702 0.79 ACHE (0.40) POLBNPSR1HSD17B2TSHRALDH1A1
SCHEMBL7440464 0.78 FOLH1 (0.41) ALDH1A1PKMHPGDMEN1KMT2A
SCHEMBL7446529 0.78 ACE (0.41) POLBNPSR1TSHRALDH1A1PKM
SCHEMBL7428792 0.78 CYP2D6 (0.45) POLBNPSR1KMT2A
SCHEMBL7428456 0.78 PLA2G10 (0.45) POLBNPSR1HSD17B2ALDH1A1SMN1; SMN2
SCHEMBL7439156 0.77 MME (0.44) POLBNPSR1TSHRALDH1A1PKM
SCHEMBL7437110 0.76 ACE (0.40) POLBNPSR1TSHRALDH1A1PKM
SCHEMBL7426522 0.76 MAPT (0.43) POLBNPSR1TSHRALDH1A1SMN1; SMN2
SCHEMBL7432645 0.76 ENPP2 (0.47) POLBNPSR1TSHRALDH1A1HPGD
SCHEMBL7442316 0.75 ALDH1A1 (0.51) POLBNPSR1TSHRALDH1A1PKM

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