SCHEMBL6956161

SCHEMBL6956161

CC(C)NC(Cc1ccc(OCCn2c(=O)c3ccccc3n(C)c2=O)cc1)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.46
PPARA Q07869 4/20 0.46
PPARD Q03181 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TNF P01375 1/20 0.42
HDAC1 Q13547 3/20 0.42
PKM P14618 1/20 0.41
TSHR P16473 3/20 0.41
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PTGS2 P35354 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL6952391 0.83 PPARG (0.46) PPARGPPARAPPARDALDH1A1MEN1
SCHEMBL6952396 0.81 MEN1 (0.46) PPARGPPARAPPARDALDH1A1MEN1
SCHEMBL6956426 0.79 PPARG (0.59) PPARGPPARAPPARDALDH1A1MEN1
SCHEMBL6952341 0.78 MEN1 (0.44) PPARGPPARAPPARDALDH1A1MEN1
SCHEMBL6955076 0.77 PPARA (0.54) PPARGPPARAPPARDALDH1A1MEN1
SCHEMBL6951283 0.75 PPARA (0.54) PPARGPPARAPPARDALDH1A1HDAC1
SCHEMBL6948934 0.75 MEN1 (0.45) PPARGPPARAPPARDALDH1A1MEN1
SCHEMBL6952900 0.74 TNF (0.48) PPARGPPARAPPARDALDH1A1MEN1
SCHEMBL6949251 0.73 L3MBTL1 (0.46) PPARGPPARAPPARDALDH1A1NPC1
SCHEMBL8301343 0.72 HRH3 (0.39) PPARG

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