SCHEMBL8065381

SCHEMBL8065381

CC[C@H](C)[C@H]1CS[C@@H](Cc2ccccc2)C(=O)N1C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 8/20 0.48
KLK5 Q9Y337 7/20 0.47
PRSS1 P07477 3/20 0.43
PRSS2 P07478 3/20 0.43
PRSS3 P35030 3/20 0.43
GPR119 Q8TDV5 1/20 0.41
PLA2G10 O15496 1/20 0.39
PLA2G5 P39877 1/20 0.39
NR1H3 Q13133 3/20 0.38
NR1H2 P55055 2/20 0.38
ACE P12821 1/20 0.38
STS P08842 1/20 0.37

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
SCHEMBL8886170 1.00 KLK7 (0.48) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL8884829 0.80 KLK7 (0.48) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL8886010 0.80 KLK7 (0.48) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL5891618 0.80 KLK7 (0.48) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL8074700 0.76 KLK7 (0.42) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL8884698 0.76 KLK7 (0.42) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL8078090 0.71 KLK7 (0.39) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL8065158 0.71 NR1H3 (0.37) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL8886373 0.71 NR1H3 (0.37) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL8065802 0.71 KLK7 (0.42) KLK7KLK5PRSS1PRSS2PRSS3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0666844-B1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2000-08-23 EP disclosed
EP-0666844-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1995-08-16 EP disclosed
WO-1994010138-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1994-05-11 WO disclosed