SCHEMBL8423766

SCHEMBL8423766

CC(C)(C)OC(=O)NC(C(=O)O)c1ccc(CNC(N)=S)s1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.41
CTSS P25774 11/20 0.41
ATM Q13315 1/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
PPARA Q07869 2/20 0.34
GAA P10253 1/20 0.34
PPARG P37231 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
ACE P12821 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
SCHEMBL8423620 0.78 CTSK (0.43) CTSKCTSSCTSLCTSB
SCHEMBL5215045 0.76 CTSS (0.43) CTSKCTSSATMCTSLCTSB
SCHEMBL31173277 0.74 CTSS (0.42) CTSKCTSSATMCTSLCTSB
SCHEMBL3646397 0.74 CTSS (0.42) CTSKCTSSATMCTSLCTSB
SCHEMBL13975709 0.73 KDM4A (0.41) CTSKATMGAACA12CA1
SCHEMBL30466775 0.72 KDM4A (0.40) CTSKATMGAACA12CA1
SCHEMBL11573047 0.69 CTSS (0.48) CTSKCTSSATMGAACA1
SCHEMBL8422170 0.69 CTSS (0.45) CTSKCTSSCTSLCTSBPPARA
SCHEMBL8422169 0.69 CTSS (0.45) CTSKCTSSCTSLCTSBPPARA
SCHEMBL3220161 0.68 CTSK (0.48) CTSKCTSSATMCTSLCTSB

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
US-5874472-A Aminoacid derivatives as no synthase inhibitors GLAXO WELLCOME INC. (US) 1999-02-23 US disclosed