SCHEMBL8368574

SCHEMBL8368574

CCCC[C@H]1CO[C@@H](Cc2ccccc2)C(=O)N1C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 9/20 0.48
KLK5 Q9Y337 7/20 0.48
PRSS1 P07477 3/20 0.48
PRSS2 P07478 3/20 0.48
PRSS3 P35030 3/20 0.48
PLA2G10 O15496 1/20 0.37
PLA2G5 P39877 1/20 0.37
STS P08842 1/20 0.37
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
ABCB1 P08183 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.35
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35

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
SCHEMBL9392696 0.84 KLK7 (0.46) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL5891618 0.80 KLK7 (0.48) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL8886010 0.80 KLK7 (0.48) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL8884829 0.80 KLK7 (0.48) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL17169858 0.72 KLK7 (0.50) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL29997836 0.72 KLK7 (0.50) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL1274642 0.72 RIPK1 (0.45) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL247530 0.71 KLK7 (0.54) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL19605628 0.70 KLK7 (0.45) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL19605627 0.70 KLK7 (0.45) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0725650-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-02-03 EP disclosed
EP-0725650-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1996-08-14 EP disclosed