SCHEMBL4656157

SCHEMBL4656157

CC(C)(C)OC(=O)NC(Cc1ccc(O)c(C(C)(C)C)c1)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
APP P05067 4/20 0.39
CTSS P25774 5/20 0.38
CTSK P43235 4/20 0.38
CTSB P07858 3/20 0.38
AKT1 P31749 1/20 0.38
ACE P12821 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
SCN9A Q15858 1/20 0.37
CTSL P07711 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL4898325 0.84 ATM (0.60) ATMAPPCTSSCTSKCTSB
SCHEMBL12336762 0.84 ATM (0.60) ATMAPPCTSSCTSKCTSB
SCHEMBL4900744 0.84 ATM (0.60) ATMAPPCTSSCTSKCTSB
SCHEMBL13260263 0.84 ATM (0.45) ATMAPPCTSSCTSKCTSB
SCHEMBL13162709 0.83 ATM (0.51) ATMAPPCTSSCTSKCTSB
SCHEMBL4728727 0.83 ATM (0.50) ATMAPPCTSSCTSKAKT1
SCHEMBL2617222 0.83 CTSS (0.53) ATMAPPCTSSCTSKCTSB
SCHEMBL683030 0.82 CTSS (0.52) ATMAPPCTSSCTSKCTSB
SCHEMBL13919601 0.82 ATM (0.49) ATMAPPCTSSCTSKCTSB
SCHEMBL14870407 0.82 ATM (0.47) ATMAPPCTSSCTSKAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1006122-B1 PHENETHYLAMINE DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2008-12-03 EP disclosed
US-6255285-B1 GASTROINTESTINAL DISORDERS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-07-03 US disclosed
EP-1006122-A1 PHENETHYLAMINE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-06-07 EP disclosed