SCHEMBL8078448

SCHEMBL8078448

CCC(C)C(CO[C@H](C(=O)O)[C@@H](C)c1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.43
CTSS P25774 2/20 0.43
PPARA Q07869 3/20 0.41
ATM Q13315 1/20 0.41
ACE P12821 1/20 0.40
PPARG P37231 2/20 0.40
KMT2A Q03164 1/20 0.40
GABRB1 P18505 1/20 0.39
GABRB2 P47870 1/20 0.39
MAPT P10636 1/20 0.39
KLK5 Q9Y337 1/20 0.39
SYK P43405 1/20 0.39

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
SCHEMBL8073382 1.00 CTSK (0.43) CTSKCTSSPPARAATMACE
SCHEMBL8073875 0.83 CA1 (0.49) CTSKCTSSKMT2A
SCHEMBL8065076 0.81 KDM4E (0.38) CTSKCTSSKMT2A
SCHEMBL5891314 0.80 ATM (0.48) CTSKCTSSPPARAATMACE
SCHEMBL10062432 0.76 KLK5 (0.57) CTSKCTSSATMACEKMT2A
SCHEMBL8205328 0.76 KLK5 (0.57) CTSKCTSSATMACEKMT2A
SCHEMBL12806200 0.76 CTSK (0.52) CTSKCTSSPPARAATMPPARG
SCHEMBL6685934 0.74 CTSK (0.51) CTSKCTSSATMMAPTKLK5
SCHEMBL16181500 0.74 CTSK (0.53) CTSKCTSSPPARAATMPPARG
SCHEMBL8079961 0.73 PPARA (0.46) CTSKCTSSPPARAATMACE

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