SCHEMBL1855495

SCHEMBL1855495

CCCCCCCCc1noc(-c2ccc(C[N+]([O-])(Cc3cccc(C(F)(F)F)c3)OC(=O)CCC)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.42
PPARA Q07869 3/20 0.42
PPARD Q03181 2/20 0.42
SPHK1 Q9NYA1 1/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC5 Q9UQL6 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL1853294 0.94 PPARG (0.44) PPARGPPARAPPARDSPHK1MEN1
SCHEMBL1853813 0.86 SPHK1 (0.40) PPARGPPARAPPARDSPHK1HDAC1
SCHEMBL6823315 0.84 ALDH1A1 (0.39) PPARGPPARAPPARDSPHK1MEN1
SCHEMBL1857251 0.84 PPARG (0.43) PPARGPPARAPPARDSPHK1ALDH1A1
SCHEMBL1855933 0.84 SPHK1 (0.36) PPARGPPARAPPARDSPHK1HDAC1
SCHEMBL1856698 0.81 PPARG (0.41) PPARGPPARAPPARDSPHK1HDAC1
SCHEMBL6715222 0.78 SPHK2 (0.41) PPARGPPARAPPARDSPHK1MEN1
SCHEMBL5039861 0.77 SPHK1 (0.42) PPARGPPARAPPARDSPHK1MEN1
SCHEMBL1854708 0.77 HDAC8 (0.56) SPHK1HDAC1HDAC8MAPTSMN1; SMN2
SCHEMBL1857829 0.77 SPHK1 (0.47) PPARGPPARAPPARDSPHK1MEN1

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-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed