SCHEMBL11522841

SCHEMBL11522841

C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](COCc1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.64
PPARG P37231 1/20 0.59
CTSS P25774 4/20 0.56
REN P00797 7/20 0.55
CTSK P43235 2/20 0.52
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
ACE P12821 1/20 0.50
MME P08473 1/20 0.47
RAB9A P51151 1/20 0.47
AKT1 P31749 1/20 0.46

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
SCHEMBL11525633 1.00 PPARA (0.64) PPARAPPARGCTSSRENCTSK
SCHEMBL11522829 1.00 PPARA (0.64) PPARAPPARGCTSSRENCTSK
SCHEMBL11505366 0.92 PPARA (0.68) PPARAPPARGCTSSRENACE
SCHEMBL3820032 0.83 PPARA (0.76) PPARAPPARGCTSSRENCTSK
SCHEMBL17051 0.83 PPARA (0.90) PPARAPPARGCTSSCTSKCTSL
SCHEMBL828674 0.83 PPARA (0.90) PPARAPPARGCTSSCTSKCTSL
SCHEMBL1132901 0.83 PPARA (0.90) PPARAPPARGCTSSCTSKCTSL
SCHEMBL16576480 0.81 CTSS (0.66) PPARAPPARGCTSSRENCTSK
SCHEMBL29787684 0.81 PPARA (0.52) PPARAPPARGCTSSCTSKCTSL
SCHEMBL29556874 0.81 PPARA (0.75) PPARAPPARGCTSSRENCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4133805-A INHIBIT RELEASE OR PITUITARY GROWTH HORMONE, GLUCAGON, AND INSULIN AMERICAN HOME PRODUCTS CORPORATION (US) 1979-01-09 US disclosed