SCHEMBL5990989

SCHEMBL5990989

CNC(c1ccccc1)c1ccccc1.C[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.48
CTSS P25774 4/20 0.48
PPARA Q07869 2/20 0.45
PPARG P37231 1/20 0.45
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRB2 P47870 1/20 0.43
ATM Q13315 1/20 0.42
ACE P12821 1/20 0.42

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
SCHEMBL13567835 0.83 CTSK (0.53) CTSKCTSSCTSLCTSBMAPT
SCHEMBL14820895 0.82 CTSK (0.57) CTSKCTSSPPARAPPARGCTSL
SCHEMBL148099 0.80 CA1 (0.52) CTSKCTSSCTSLCTSBMAPT
SCHEMBL148100 0.80 CA1 (0.52) CTSKCTSSCTSLCTSBMAPT
SCHEMBL17957327 0.80 CA1 (0.52) CTSKCTSSCTSLCTSBMAPT
SCHEMBL256594 0.80 CA1 (0.52) CTSKCTSSCTSLCTSBMAPT
SCHEMBL29480433 0.80 CTSK (0.50) CTSKCTSSCTSLCTSBMAPT
SCHEMBL29480432 0.80 CTSK (0.50) CTSKCTSSCTSLCTSBMAPT
Benzaldehyde SCHEMBL11503729 0.79 PPARA (0.46) CTSKCTSSPPARAPPARGCTSL
Hydrochloric Acid SCHEMBL30428440 0.78 CA1 (0.50) CTSKCTSSCTSLCTSBMAPT

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
US-7087729-B1 Peptide conjugates for the stabilization of membrane proteins and interactions with biological membranes UNIVERSITY HEALTH NETWORK (CA) 2006-08-08 US disclosed
EP-1196434-A2 PEPTIDE CONJUGATES FOR THE STABILIZATION OF MEMBRANE PROTEINS AND INTERACTIONS WITH BIOLOGICAL MEMBRANES University Health Network (CA) 2002-04-17 EP disclosed
WO-2001002425-A2 PEPTIDE CONJUGATES FOR THE STABILIZATION OF MEMBRANE PROTEINS AND INTERACTIONS WITH BIOLOGICAL MEMBRANES UNIVERSITY HEALTH NETWORK (CA) 2001-01-11 WO disclosed