SCHEMBL6156774

SCHEMBL6156774

CCOC(=O)[C@H](Cc1ccc(-c2cccc(CNC)c2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.56
CTSK P43235 9/20 0.56
CTSB P07858 4/20 0.56
SCN9A Q15858 1/20 0.51
CTSL P07711 2/20 0.48
ACE P12821 1/20 0.47
KLK5 Q9Y337 1/20 0.46
ITGB3 P05106 1/20 0.45
ITGAV P06756 1/20 0.45
TP53 P04637 1/20 0.44
EPHX2 P34913 1/20 0.44
BCL2 P10415 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL3438999 0.90 CTSS (0.59) CTSSCTSKCTSBCTSLACE
SCHEMBL2859101 0.89 CTSS (0.61) CTSSCTSKCTSBSCN9ACTSL
SCHEMBL2856700 0.89 CTSS (0.61) CTSSCTSKCTSBSCN9ACTSL
SCHEMBL2856693 0.89 CTSS (0.61) CTSSCTSKCTSBSCN9ACTSL
SCHEMBL6155054 0.85 CTSS (0.52) CTSSCTSKCTSBSCN9ACTSL
SCHEMBL1273042 0.82 CTSS (0.64) CTSSCTSKCTSBSCN9ACTSL
SCHEMBL12122453 0.82 CTSS (0.64) CTSSCTSKCTSBSCN9ACTSL
SCHEMBL14803767 0.80 PPARG (0.53) CTSSCTSKCTSBSCN9ACTSL
SCHEMBL20045974 0.80 PPARG (0.53) CTSSCTSKCTSBSCN9ACTSL
SCHEMBL12643835 0.79 CTSS (0.52) CTSSCTSKCTSBSCN9ACTSL

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
EP-1575911-A2 BIAROMATIC COMPOUNDS WHICH ACTIVATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2005-09-21 EP disclosed
WO-2004046091-A2 BIAROMATIC COMPOUNDS WHICH ACTIVATE PPAR-GAMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-06-03 WO disclosed