SCHEMBL13286607

SCHEMBL13286607

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
ACE P12821 1/20 0.53
CTSK P43235 6/20 0.52
CTSS P25774 3/20 0.52
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
REN P00797 1/20 0.51
ALDH1A1 P00352 2/20 0.50
PPARA Q07869 2/20 0.48
PPARG P37231 1/20 0.48
APP P05067 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
XBP1 P17861 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL12137049 0.92 ATM (0.61) ATMACECTSKCTSSCTSL
SCHEMBL2736190 0.92 ATM (0.61) ATMACECTSKCTSSCTSL
SCHEMBL10548656 0.90 ATM (0.54) ATMACECTSKCTSSCTSL
SCHEMBL6447409 0.90 ATM (0.54) ATMACECTSKCTSSCTSL
SCHEMBL8030523 0.90 ATM (0.54) ATMACECTSKCTSSCTSL
SCHEMBL6447414 0.90 ATM (0.54) ATMACECTSKCTSSCTSL
SCHEMBL10549662 0.89 ATM (0.53) ATMACECTSKCTSSCTSL
SCHEMBL7324107 0.89 REN (0.54) ATMACECTSKCTSSCTSL
SCHEMBL7330614 0.89 REN (0.54) ATMACECTSKCTSSCTSL
SCHEMBL10378297 0.88 REN (0.49) ATMACECTSKCTSSCTSL

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-7745489-B2 Compositions and methods for inhibition of phospholipase A2 mediated inflammation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-06-29 US disclosed