SCHEMBL6158641

SCHEMBL6158641

CC(C)(C)OC(=O)NC(C)(Cc1ccc(-c2cccc(CNCC(=O)c3ccccc3)c2)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
CTSB P07858 1/20 0.43
HDAC1 Q13547 4/20 0.42
JAK3 P52333 1/20 0.41
BTK Q06187 1/20 0.41
ATM Q13315 1/20 0.38
HDAC4 P56524 2/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
SHMT1 P34896 1/20 0.37
SHMT2 P34897 1/20 0.37
PPARA Q07869 5/20 0.37
PPARG P37231 4/20 0.37
PPARD Q03181 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37

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
SCHEMBL6158648 1.00 CTSS (0.43) CTSSCTSKCTSBHDAC1JAK3
SCHEMBL6155061 0.88 CTSK (0.42) CTSSCTSKCTSBHDAC1JAK3
SCHEMBL6155065 0.88 CTSK (0.42) CTSSCTSKCTSBHDAC1JAK3
SCHEMBL2856941 0.83 ACE (0.56) CTSSCTSKCTSBJAK3BTK
SCHEMBL2853142 0.83 ACE (0.56) CTSSCTSKCTSBJAK3BTK
SCHEMBL2853135 0.83 ACE (0.56) CTSSCTSKCTSBJAK3BTK
SCHEMBL7857502 0.82 CTSS (0.52) CTSSCTSKCTSBHDAC1PPARA
SCHEMBL6158635 0.81 CTSS (0.53) CTSSCTSKCTSBHDAC1JAK3
SCHEMBL6155054 0.80 CTSS (0.52) CTSSCTSKCTSBJAK3BTK
SCHEMBL3439248 0.80 CTSS (0.52) CTSSCTSKCTSBJAK3BTK

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