SCHEMBL8079961

SCHEMBL8079961

CC[C@H](C)C(CO[C@@](C)(Cc1ccccc1)C(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.46
KLK5 Q9Y337 2/20 0.45
PPARG P37231 4/20 0.44
CTSS P25774 5/20 0.44
CTSK P43235 5/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
KMT2A Q03164 1/20 0.44
SYK P43405 1/20 0.43
ATM Q13315 1/20 0.43
ACE P12821 1/20 0.43
CA2 P00918 1/20 0.42
PPARD Q03181 2/20 0.42

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
SCHEMBL8205328 0.81 KLK5 (0.57) KLK5CTSSCTSKCTSLCTSB
SCHEMBL10062432 0.81 KLK5 (0.57) KLK5CTSSCTSKCTSLCTSB
SCHEMBL8079819 0.80 KMT2A (0.39) KLK5KMT2AATM
SCHEMBL8065804 0.79 PPARA (0.47) PPARAKLK5PPARGCTSSCTSK
SCHEMBL5891314 0.78 ATM (0.48) PPARAKLK5PPARGCTSSCTSK
SCHEMBL9132420 0.74 KLK5 (0.56) KLK5CTSSCTSKCTSLCTSB
SCHEMBL18493990 0.74 SYK (0.73) CTSSCTSKCTSLCTSBKMT2A
SCHEMBL17340558 0.74 SYK (0.73) CTSSCTSKCTSLCTSBKMT2A
SCHEMBL2723731 0.74 SYK (0.73) CTSSCTSKCTSLCTSBKMT2A
SCHEMBL2723729 0.74 SYK (0.73) CTSSCTSKCTSLCTSBKMT2A

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