SCHEMBL8615645

SCHEMBL8615645

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.46
CTSK P43235 4/20 0.46
PPARA Q07869 5/20 0.41
PPARG P37231 4/20 0.41
ATM Q13315 1/20 0.41
ACE P12821 1/20 0.41
PPARD Q03181 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
MAPT P10636 1/20 0.39
CACNA1B Q00975 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL8618823 0.89 CTSS (0.43) CTSSCTSKPPARAPPARGATM
SCHEMBL17395943 0.87 CTSS (0.49) CTSSCTSKPPARAPPARGATM
SCHEMBL21777294 0.87 CTSS (0.49) CTSSCTSKPPARAPPARGATM
SCHEMBL265969 0.87 CTSS (0.49) CTSSCTSKPPARAPPARGATM
SCHEMBL8622411 0.86 CTSK (0.48) CTSSCTSKATMCTSLCTSB
SCHEMBL8618842 0.85 CTSS (0.41) CTSSCTSKPPARAPPARGATM
SCHEMBL8622009 0.83 CTSS (0.39) CTSSCTSKPPARAPPARGATM
SCHEMBL21777285 0.83 PPARG (0.53) CTSSCTSKPPARAPPARGACE
SCHEMBL8615780 0.82 CTSK (0.39) CTSSCTSKATMACECTSL
SCHEMBL8619927 0.80 PPARG (0.44) CTSSCTSKPPARAPPARGATM

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