SCHEMBL3995145

SCHEMBL3995145

CC(C)(C)c1cc(CC(NC(=O)OCc2ccccc2)C2NC(=O)NC2=O)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 11/20 0.43
CTSK P43235 10/20 0.43
IDO1 P14902 2/20 0.40
TDO2 P48775 1/20 0.40
CTSS P25774 6/20 0.40
TYR P14679 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 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
SCHEMBL3989609 0.85 CTSK (0.34) CTSLCTSKCTSSITGB3ITGA2B
SCHEMBL3988356 0.78
SCHEMBL3989464 0.77 CTSL (0.45) CTSLCTSKCTSS
SCHEMBL3989460 0.77 CTSL (0.45) CTSLCTSKCTSS
SCHEMBL3989467 0.76 CTSB (0.50) CTSLCTSKCTSS
SCHEMBL13964643 0.75 IDO1 (0.51) CTSLCTSKIDO1TDO2CTSS
SCHEMBL7082474 0.71 CTSK (0.51) CTSLCTSKIDO1TDO2CTSS
SCHEMBL4657113 0.70 SYK (0.60) CTSLCTSKCTSS
SCHEMBL3988336 0.70 PTPRB (0.46) CTSLCTSKCTSSITGB3ITGA2B
SCHEMBL3989682 0.70 TACR1 (0.48) CTSLCTSSTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553969-B1 Substituted phenethylamine derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-06-30 US disclosed
EP-1149843-A1 SUBSTITUTED PHENETHYLAMINE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-10-31 EP disclosed