SCHEMBL6955022

SCHEMBL6955022

CC(C)OC(Cc1ccc(OCCc2nc3ccccc3c(=O)n2C)cc1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.51
ACKR3 P25106 6/20 0.51
PPARG P37231 9/20 0.47
PPARA Q07869 8/20 0.47
KDM4E B2RXH2 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC8 Q9BY41 1/20 0.45
PPARD Q03181 5/20 0.42
PDE10A Q9Y233 1/20 0.42
ADRA1A P35348 1/20 0.40
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL6955832 0.91 ACKR3 (0.55) HDAC6ACKR3PPARGPPARAKDM4E
SCHEMBL6952836 0.85 ACKR3 (0.50) HDAC6ACKR3PPARGKDM4EALOX15
SCHEMBL6952370 0.83 PPARG (0.61) HDAC6ACKR3PPARGPPARAPPARD
SCHEMBL6955334 0.83 ACKR3 (0.52) HDAC6ACKR3PPARGPPARAKDM4E
SCHEMBL8305576 0.83 ACKR3 (0.49) HDAC6ACKR3PPARGKDM4EALOX15
SCHEMBL6955465 0.81 MAPK1 (0.59)
SCHEMBL6956510 0.81 HDAC6 (0.52) HDAC6ACKR3PPARGKDM4EALOX15
SCHEMBL6950203 0.79 ACKR3 (0.50) HDAC6ACKR3PPARGPPARAKDM4E
SCHEMBL6956676 0.79 ACKR3 (0.54) HDAC6ACKR3PPARGPPARAKDM4E
SCHEMBL6953483 0.79 PPARG (0.60) HDAC6ACKR3PPARGPPARAPPARD

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-0903343-B1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP CO LTD (JP) 2003-05-28 EP disclosed
EP-0903343-A1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP Co., Ltd. (JP) 1999-03-24 EP disclosed