SCHEMBL3870705

SCHEMBL3870705

CCCCOC(=O)NC(Cc1ccccc1Br)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.48
CTSS P25774 1/20 0.48
ITGB3 P05106 7/20 0.43
ITGA2B P08514 7/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ACE P12821 2/20 0.43
ACE2 Q9BYF1 2/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41

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
SCHEMBL5089560 0.86 CTSK (0.45) CTSKITGB3ITGA2BTDP1SMN1; SMN2
SCHEMBL5086244 0.86 CTSK (0.45) CTSKITGB3ITGA2BTDP1SMN1; SMN2
SCHEMBL5503388 0.85 CTSK (0.48) CTSKCTSSITGB3ITGA2BTDP1
SCHEMBL5502754 0.85 HPGD (0.52) CTSKITGB3ITGA2BTDP1SMN1; SMN2
SCHEMBL5088784 0.84 ALDH1A1 (0.52) CTSKITGB3ITGA2BTDP1SMN1; SMN2
SCHEMBL7758997 0.83 ITGB3 (0.58) CTSKCTSSITGB3ITGA2BACE
SCHEMBL2185240 0.83 ITGB3 (0.58) CTSKCTSSITGB3ITGA2BACE
SCHEMBL844471 0.83 ITGB3 (0.58) CTSKCTSSITGB3ITGA2BACE
SCHEMBL16267725 0.83 CTSS (0.55) CTSKCTSSACEACE2PPARG
SCHEMBL9849060 0.83 CTSS (0.55) CTSKCTSSACEACE2PPARG

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
EP-2064177-A2 PROTEASE INHIBITORS Ambrilia Biopharma Inc. (CA) 2009-06-03 EP disclosed
WO-2008078200-A2 PROTEASE INHIBITORS AMBRILIA BIOPHARMA INC. (CA) 2008-07-03 WO disclosed