SCHEMBL6155056

SCHEMBL6155056

CCC(c1ccc(-c2cccc(CNCC(=O)c3ccccc3)c2)cc1)C(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.45
CTSS P25774 4/20 0.45
CTSB P07858 1/20 0.45
JAK3 P52333 1/20 0.43
BTK Q06187 1/20 0.43
ATM Q13315 1/20 0.42
HDAC1 Q13547 3/20 0.40
HDAC4 P56524 2/20 0.40
ACE P12821 1/20 0.39
PPARA Q07869 5/20 0.39
PPARG P37231 4/20 0.39
PPARD Q03181 2/20 0.39
PTGS2 P35354 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL6158637 0.90 CTSS (0.46) CTSKCTSSCTSBJAK3BTK
SCHEMBL2856941 0.84 ACE (0.56) CTSKCTSSCTSBJAK3BTK
SCHEMBL2853135 0.84 ACE (0.56) CTSKCTSSCTSBJAK3BTK
SCHEMBL2853142 0.84 ACE (0.56) CTSKCTSSCTSBJAK3BTK
SCHEMBL6155054 0.81 CTSS (0.52) CTSKCTSSCTSBJAK3BTK
SCHEMBL6158635 0.80 CTSS (0.53) CTSKCTSSCTSBJAK3BTK
SCHEMBL6156039 0.80 FNTA (0.47) ACEPTGS2
SCHEMBL3439248 0.79 CTSS (0.52) CTSKCTSSCTSBJAK3BTK
SCHEMBL6155065 0.78 CTSK (0.42) CTSKCTSSCTSBJAK3BTK
SCHEMBL6155061 0.78 CTSK (0.42) CTSKCTSSCTSBJAK3BTK

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