SCHEMBL27159014

SCHEMBL27159014

CC(C)(C)OC(=O)N[C@H](C(=O)O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.51
CTSK P43235 2/20 0.51
NR1H4 Q96RI1 2/20 0.44
ATM Q13315 3/20 0.44
PPARA Q07869 6/20 0.40
PPARG P37231 5/20 0.40
S1PR3 Q99500 1/20 0.40
ACE P12821 1/20 0.39
PPARD Q03181 2/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38

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
SCHEMBL12326946 1.00 CTSS (0.51) CTSSCTSKNR1H4ATMPPARA
SCHEMBL2833637 0.88 PPARG (0.52) CTSSCTSKATMPPARAPPARG
SCHEMBL16333438 0.88 PPARG (0.52) CTSSCTSKATMPPARAPPARG
SCHEMBL12195416 0.86 CTSS (0.52) CTSSCTSKATMPPARAPPARG
SCHEMBL191987 0.86 CTSS (0.52) CTSSCTSKATMPPARAPPARG
SCHEMBL27159559 0.86 CTSS (0.52) CTSSCTSKATMPPARAPPARG
SCHEMBL8513252 0.86 CTSS (0.52) CTSSCTSKATMPPARAPPARG
SCHEMBL191986 0.86 CTSS (0.52) CTSSCTSKATMPPARAPPARG
SCHEMBL843924 0.86 CTSS (0.52) CTSSCTSKATMPPARAPPARG
SCHEMBL116386 0.86 CTSK (0.66) CTSSCTSKATMPPARAPPARG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4332089-A1 METHOD FOR PREPARING AMINO ACIDS PHILIPPS-UNIVERSITÄT MARBURG (DE) 2024-03-06 EP disclosed