SCHEMBL8985017

SCHEMBL8985017

CC(C)(C)OC(=O)NC(Br)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.61
CTSS P25774 5/20 0.59
CTSK P43235 3/20 0.59
CTSL P07711 1/20 0.59
CTSB P07858 1/20 0.59
ACE P12821 1/20 0.56
PPARA Q07869 2/20 0.54
APP P05067 3/20 0.53
KLK5 Q9Y337 2/20 0.52
PPARG P37231 1/20 0.51
AKT1 P31749 2/20 0.51
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL14861038 0.84 NPC1 (0.50) ATMALDH1A1
SCHEMBL29401299 0.83 NPC1 (0.63) ATMCTSSCTSKCTSLCTSB
SCHEMBL3676166 0.83 NPC1 (0.63) ATMCTSSCTSKCTSLCTSB
SCHEMBL12203694 0.83 NPC1 (0.63) ATMCTSSCTSKCTSLCTSB
SCHEMBL3676162 0.83 NPC1 (0.63) ATMCTSSCTSKCTSLCTSB
SCHEMBL9299789 0.83 ATM (0.63) ATMCTSSCTSKCTSLCTSB
SCHEMBL7939304 0.83 ATM (0.63) ATMCTSSCTSKCTSLCTSB
SCHEMBL5651916 0.83 CTSS (0.64) ATMCTSSCTSKCTSLCTSB
SCHEMBL5651920 0.83 CTSS (0.64) ATMCTSSCTSKCTSLCTSB
SCHEMBL3152909 0.83 CACNA1B (0.51) ATMCTSSCTSKCTSLCTSB

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-5541286-A Bradykinin antagonist pseudopeptide derivatives of olefinic aminoalkanoic acids SCIOS NOVA INC. (US) 1996-07-30 US disclosed
US-5444048-A Antiinflammatory agents, analgesics SCIOS NOVA, INC. (US) 1995-08-22 US disclosed