SCHEMBL6158635

SCHEMBL6158635

COC(=O)[C@@H](Cc1ccc(-c2cccc(CNCC(=O)c3ccccc3)c2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.53
CTSK P43235 3/20 0.53
CTSB P07858 2/20 0.53
KLK5 Q9Y337 1/20 0.53
JAK3 P52333 1/20 0.48
BTK Q06187 1/20 0.48
ATM Q13315 2/20 0.48
ACE P12821 1/20 0.47
CTSL P07711 1/20 0.46
HDAC1 Q13547 4/20 0.46
HDAC6 Q9UBN7 4/20 0.46
OPRK1 P41145 3/20 0.44
ALDH1A1 P00352 2/20 0.44
EPHX2 P34913 1/20 0.44
BCL2 P10415 1/20 0.44
LMNA P02545 1/20 0.43
GLA P06280 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
SCHEMBL6155054 0.93 CTSS (0.52) CTSSCTSKCTSBKLK5JAK3
SCHEMBL3439248 0.93 CTSS (0.52) CTSSCTSKCTSBKLK5JAK3
SCHEMBL2856941 0.93 ACE (0.56) CTSSCTSKCTSBJAK3BTK
SCHEMBL2853135 0.93 ACE (0.56) CTSSCTSKCTSBJAK3BTK
SCHEMBL2853142 0.93 ACE (0.56) CTSSCTSKCTSBJAK3BTK
SCHEMBL1826757 0.83 CTSS (0.69) CTSSCTSKCTSBKLK5ATM
SCHEMBL10033679 0.83 CTSS (0.69) CTSSCTSKCTSBKLK5ATM
SCHEMBL2802961 0.83 CTSS (0.69) CTSSCTSKCTSBKLK5ATM
SCHEMBL2856237 0.83 PPARG (0.61) ATMHDAC1HDAC6OPRK1ALDH1A1
SCHEMBL2859548 0.83 PPARG (0.61) ATMHDAC1HDAC6OPRK1ALDH1A1

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