SCHEMBL4657113

SCHEMBL4657113

CC(C)(C)OC(=O)NC(CNC(=O)OCc1ccccc1)Cc1ccc(O)c(C(C)(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.60
ATM Q13315 1/20 0.53
MAPT P10636 1/20 0.45
APP P05067 4/20 0.45
CTRB1 P17538 2/20 0.44
PPARA Q07869 1/20 0.43
CTSS P25774 6/20 0.42
CTSK P43235 6/20 0.42
CTSB P07858 3/20 0.42
CTSL P07711 3/20 0.41
ACE P12821 1/20 0.40
KLK5 Q9Y337 1/20 0.40

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
SCHEMBL4656413 0.91 SYK (0.51) SYKATMMAPTAPPCTSK
SCHEMBL4657115 0.87 ATM (0.51) SYKATMAPPCTSSCTSK
SCHEMBL6541785 0.87 SYK (0.74) SYKATMMAPTAPPCTRB1
SCHEMBL975349 0.87 SYK (0.74) SYKATMMAPTAPPCTRB1
SCHEMBL4657183 0.85 CTSL (0.47) SYKCTRB1CTSKCTSL
SCHEMBL6310847 0.82 SYK (0.82) SYKATMMAPTAPPCTRB1
SCHEMBL6310853 0.82 SYK (0.82) SYKATMMAPTAPPCTRB1
SCHEMBL6310843 0.82 SYK (0.82) SYKATMMAPTAPPCTRB1
SCHEMBL14497009 0.80 SYK (0.74) SYKATMMAPTAPPCTRB1
SCHEMBL4657364 0.80 ATM (0.46) ATMAPPCTSSCTSKCTSB

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