SCHEMBL5045783

SCHEMBL5045783

CCCCCCCCc1noc(-c2ccc(CC([NH])c3cccc(C(F)(F)F)c3)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.44
PPARA Q07869 6/20 0.44
PPARD Q03181 3/20 0.44
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SPHK1 Q9NYA1 4/20 0.39
NR1H4 Q96RI1 1/20 0.39
SPHK2 Q9NRA0 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ACP3 P15309 1/20 0.36

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
SCHEMBL5049034 0.89 PPARG (0.44) PPARGPPARAPPARDMAPTKDM4E
SCHEMBL5044166 0.82 NPC1 (0.45) PPARGPPARAPPARDMAPTKDM4E
SCHEMBL1857980 0.80 SPHK1 (0.47) PPARGPPARAPPARDMAPTKDM4E
SCHEMBL1857829 0.80 SPHK1 (0.47) PPARGPPARAPPARDMAPTKDM4E
SCHEMBL5039859 0.79 PPARG (0.41) PPARGPPARAPPARDMAPTKDM4E
SCHEMBL5039861 0.79 SPHK1 (0.42) PPARGPPARAPPARDMAPTKDM4E
SCHEMBL5044867 0.78 ALDH1A1 (0.47) PPARGPPARAPPARDMAPTKDM4E
SCHEMBL5045817 0.78 ALDH1A1 (0.53) PPARGPPARAMAPTKDM4ENPC1
SCHEMBL5047736 0.78 ALDH1A1 (0.53) PPARGPPARAMAPTKDM4ENPC1
SCHEMBL5044735 0.78 PPARG (0.44) PPARGPPARAPPARDMAPTKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed