SCHEMBL8615780

SCHEMBL8615780

COCOc1ccccc1C(CCC(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.39
CTSS P25774 5/20 0.39
ATM Q13315 1/20 0.39
ACE P12821 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
MAPT P10636 1/20 0.38
SSTR3 P32745 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
SCHEMBL8619927 0.91 PPARG (0.44) CTSKCTSSATMACECTSL
SCHEMBL8622009 0.87 CTSS (0.39) CTSKCTSSATMCTSLCTSB
SCHEMBL8615645 0.82 CTSS (0.46) CTSKCTSSATMACECTSL
SCHEMBL4663082 0.80 CTSK (0.47) CTSKCTSSATMACECTSL
SCHEMBL8618823 0.79 CTSS (0.43) CTSKCTSSATMCTSLCTSB
SCHEMBL10217306 0.78 CTSK (0.46) CTSKCTSSATM
SCHEMBL14044925 0.78 CTSK (0.46) CTSKCTSSATM
SCHEMBL27603568 0.78 CTSA (0.51)
SCHEMBL4883355 0.78 CTSA (0.51)
SCHEMBL4583120 0.78 CTSK (0.53) CTSKCTSSATMACECTSL

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-0839799-A1 2-HYDROXYPHENYLALKYLAMINE DERIVATIVES AND MAILLARD REACTION INHIBITORS KISSEI PHARMACEUTICAL CO., LTD. (JP) 1998-05-06 EP disclosed