SCHEMBL8065804

SCHEMBL8065804

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.47
PPARG P37231 4/20 0.47
KLK5 Q9Y337 2/20 0.47
SYK P43405 1/20 0.45
PPARD Q03181 2/20 0.43
CTSS P25774 4/20 0.43
CTSK P43235 4/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.42
ACE P12821 1/20 0.42
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 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
SCHEMBL8072925 0.81 KMT2A (0.40) PPARAKLK5KMT2AATM
SCHEMBL10062432 0.80 KLK5 (0.57) KLK5SYKCTSSCTSKCTSL
SCHEMBL8205328 0.80 KLK5 (0.57) KLK5SYKCTSSCTSKCTSL
SCHEMBL8079961 0.79 PPARA (0.46) PPARAPPARGKLK5SYKPPARD
Hydrochloric Acid SCHEMBL8064981 0.76 KIF11 (0.41)
SCHEMBL9692628 0.74 ATM (0.56) KLK5SYKCTSSCTSKCTSL
SCHEMBL9132420 0.74 KLK5 (0.56) KLK5SYKCTSSCTSKCTSL
SCHEMBL18493990 0.73 SYK (0.73) SYKCTSSCTSKCTSLCTSB
SCHEMBL17340558 0.73 SYK (0.73) SYKCTSSCTSKCTSLCTSB
SCHEMBL2723729 0.73 SYK (0.73) SYKCTSSCTSKCTSLCTSB

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