SCHEMBL7423322

SCHEMBL7423322

CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(F)cc1)C(=O)N(C(=O)OCc1ccccc1)c1n[nH]c(=S)s1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 1/20 0.40
LNPEP Q9UIQ6 1/20 0.40
MMP1 P03956 5/20 0.40
MMP2 P08253 3/20 0.40
MMP8 P22894 2/20 0.40
MMP9 P14780 1/20 0.40
MMP3 P08254 8/20 0.40
MC4R P32245 1/20 0.39
MC3R P41968 1/20 0.39
ECE1 P42892 1/20 0.36
CTSD P07339 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
SCHEMBL7361335 0.95 MMP3 (0.42) ERAP2LNPEPMMP1MMP2MMP8
SCHEMBL7355861 0.92 PSMB1 (0.41) ERAP2LNPEPMMP1MMP3
SCHEMBL7364939 0.90 ERAP2 (0.40) ERAP2LNPEPMMP1MMP2MMP3
SCHEMBL7366734 0.90 LNPEP (0.40) ERAP2LNPEPMMP1MMP2MMP3
SCHEMBL7484700 0.90 MMP3 (0.37) ERAP2LNPEPMMP1MMP2MMP8
SCHEMBL7400006 0.90 MMP3 (0.42) ERAP2LNPEPMMP1MMP2MMP8
SCHEMBL7364809 0.88 MMP3 (0.39) MMP1MMP2MMP3CTSD
SCHEMBL7357732 0.87 MMP3 (0.46) ERAP2LNPEPMMP1MMP2MMP3
SCHEMBL7357685 0.87 MMP3 (0.44) MMP1MMP2MMP8MMP9MMP3
SCHEMBL8903088 0.86 MMP3 (0.37) ERAP2LNPEPMMP1MMP2MMP3

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
WO-1998025949-A1 SUBSTITUTED 5-AMINO-1,3,4-THIADIAZOLE-2-THIONES PROSCRIPT, INC. (US) 1998-06-18 WO disclosed