SCHEMBL8078090

SCHEMBL8078090

CC[C@H](C)[C@H]1CO[C@@H](C(C)c2ccccc2)C(=O)N1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 7/20 0.39
KLK5 Q9Y337 5/20 0.39
NR1H3 Q13133 2/20 0.38
NR1H2 P55055 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TACR1 P25103 2/20 0.33

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
SCHEMBL8886431 0.85 NR1H3 (0.36) KLK7KLK5NR1H3NR1H2GPR119
SCHEMBL8073190 0.85 NR1H3 (0.36) KLK7KLK5NR1H3NR1H2GPR119
SCHEMBL8884829 0.82 KLK7 (0.48) KLK7KLK5NR1H3NR1H2GPR119
SCHEMBL5891618 0.82 KLK7 (0.48) KLK7KLK5NR1H3NR1H2GPR119
SCHEMBL8886010 0.82 KLK7 (0.48) KLK7KLK5NR1H3NR1H2GPR119
SCHEMBL8065148 0.77 NR1H3 (0.36) KLK7KLK5NR1H3NR1H2GPR119
SCHEMBL8065492 0.74 NR1H3 (0.34) KLK7KLK5NR1H3NR1H2
SCHEMBL8073393 0.74 NR1H3 (0.34) KLK7KLK5NR1H3NR1H2
SCHEMBL8885982 0.74 NR1H3 (0.34) KLK7KLK5NR1H3NR1H2
SCHEMBL8065802 0.73 KLK7 (0.42) KLK7KLK5NR1H3NR1H2GPR119

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