SCHEMBL13323705

SCHEMBL13323705

CC(C)C[C@@H](/C=C/[C@@H](CO)Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.50
ATM Q13315 1/20 0.49
PSMB5 P28074 1/20 0.49
ACE P12821 1/20 0.48
MAPK1 P28482 1/20 0.48
CTSS P25774 2/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
PSEN1 P49768 3/20 0.45
PSEN2 P49810 3/20 0.45
APH1B Q8WW43 3/20 0.45
NCSTN Q92542 3/20 0.45
APH1A Q96BI3 3/20 0.45
PSENEN Q9NZ42 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
APP P05067 1/20 0.44
PPARG P37231 1/20 0.44

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
SCHEMBL30022871 0.87 ACE (0.54) RENATMACEMAPK1CTSS
SCHEMBL22026802 0.85 ACE (0.52) RENATMACEMAPK1CTSS
SCHEMBL13323707 0.85 ACE (0.52) RENATMACEMAPK1CTSS
SCHEMBL13863166 0.84 REN (0.50) RENATMACEMAPK1CTSS
SCHEMBL25728666 0.83 REN (0.56) RENATMPSMB5ACEMAPK1
SCHEMBL13246041 0.81 ATM (0.54) RENATMACECTSSCTSL
SCHEMBL2736190 0.81 ATM (0.61) RENATMACECTSSCTSL
SCHEMBL12137049 0.81 ATM (0.61) RENATMACECTSSCTSL
SCHEMBL24591533 0.79 MAPK1 (0.50) RENATMACEMAPK1KMT2A
SCHEMBL12249318 0.78 ACE (0.57) RENATMACECTSSCTSL

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-7718603-B1 conjugate of active peptidyl fragment having a high affinity with mitochondria and a scavenger for reaction oxygen species, or an enzyme inhibitor of nitric oxide synthase; for drug delivering drugs, or biodrugs of various types; drug targets for treating hemorrhagic shock, cell death apoptosis UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-05-18 US disclosed
US-7718603-B1 conjugate of active peptidyl fragment having a high affinity with mitochondria and a scavenger for reaction oxygen species, or an enzyme inhibitor of nitric oxide synthase; for drug delivering drugs, or biodrugs of various types; drug targets for treating hemorrhagic shock, cell death apoptosis UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-05-18 US disclosed