SCHEMBL6155054

SCHEMBL6155054

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.52
CTSK P43235 4/20 0.52
CTSB P07858 2/20 0.52
SCN9A Q15858 1/20 0.49
ATM Q13315 1/20 0.46
ACE P12821 1/20 0.46
TP53 P04637 1/20 0.45
KLK5 Q9Y337 1/20 0.45
CTSL P07711 1/20 0.45
JAK3 P52333 1/20 0.45
BTK Q06187 1/20 0.45
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
EPHX2 P34913 1/20 0.43
BCL2 P10415 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ITGB3 P05106 2/20 0.42
ITGAV P06756 2/20 0.42
ITGB1 P05556 1/20 0.42

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
SCHEMBL3439248 0.93 CTSS (0.52) CTSSCTSKCTSBATMACE
SCHEMBL6158635 0.93 CTSS (0.53) CTSSCTSKCTSBATMACE
SCHEMBL2853142 0.91 ACE (0.56) CTSSCTSKCTSBSCN9AATM
SCHEMBL2853135 0.91 ACE (0.56) CTSSCTSKCTSBSCN9AATM
SCHEMBL2856941 0.91 ACE (0.56) CTSSCTSKCTSBSCN9AATM
SCHEMBL6156774 0.85 CTSS (0.56) CTSSCTSKCTSBSCN9AACE
SCHEMBL6184580 0.83 PPARG (0.43) TP53EPHX2MEN1KMT2A
SCHEMBL6156035 0.82 TPH1 (0.48) SCN9ATP53EPHX2MEN1KMT2A
SCHEMBL6155056 0.81 CTSK (0.45) CTSSCTSKCTSBSCN9AATM
SCHEMBL3439078 0.81 TP53 (0.41) TP53MEN1KMT2AITGB1

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