SCHEMBL7446529

SCHEMBL7446529

C[C@@H](C(=O)O)N1CC(=O)N(C(S)CCc2ccccc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.41
POLB P06746 1/20 0.40
SLC1A2 P43004 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 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
SCHEMBL7437110 0.88 ACE (0.40) ACEPOLBNPSR1TSHRALDH1A1
SCHEMBL7439156 0.86 MME (0.44) ACEPOLBNPSR1TSHRALDH1A1
SCHEMBL7432092 0.85 ACE (0.41) ACEPOLBNPSR1TSHRALDH1A1
SCHEMBL7442316 0.84 ALDH1A1 (0.51) ACEPOLBNPSR1TSHRALDH1A1
SCHEMBL7431972 0.82 ACE (0.37) ACEPOLBSLC1A2NPSR1TSHR
SCHEMBL7426794 0.81 POLB (0.37) POLBALDH1A1MEN1HTTKMT2A
Hydrochloric Acid SCHEMBL7426848 0.79 CPB2 (0.38) ACEALDH1A1PKMSMN1; SMN2
SCHEMBL7446522 0.78 CPA3 (0.44) SLC1A2ALDH1A1PKMSMN1; SMN2
SCHEMBL7440468 0.78 POLB (0.37) POLBNPSR1TSHRALDH1A1PKM
SCHEMBL7428792 0.78 CYP2D6 (0.45) ACEPOLBNPSR1KMT2A

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