SCHEMBL8075158

SCHEMBL8075158

CC[C@H](C)C(COC(C(=O)N[C@H]1CCOC1=O)C(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
PSMB5 P28074 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL8073460 0.88 CA1 (0.34) CA1CA2CA7CTSSCTSK
SCHEMBL8961031 0.83 CTSS (0.40) KDM4EALDH1A1HPGDNPSR1CTSS
SCHEMBL5891488 0.83 SCN9A (0.43) KMT2A
SCHEMBL4969118 0.83 CTSS (0.50) KDM4EALDH1A1HPGDNPSR1CA2
SCHEMBL9067533 0.82 CTSS (0.35) CTSSCTSKPSMB5
Hydrochloric Acid SCHEMBL8074695 0.79
SCHEMBL5891962 0.78 FNTB (0.37) ALDH1A1
SCHEMBL4973488 0.78 CTSS (0.45) KDM4EALDH1A1HPGDCA2CTSS
SCHEMBL4970302 0.75 CTSK (0.49) CTSSCTSK
SCHEMBL29097057 0.75 CTSK (0.49) CTSSCTSK

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