SCHEMBL28212657

SCHEMBL28212657

CCCCCC(CC)(Oc1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
PPARG P37231 10/20 0.44
PPARA Q07869 10/20 0.44
PPARD Q03181 5/20 0.44
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LTA4H P09960 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39

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
SCHEMBL28148535 0.92 PPARG (0.48) GAAPPARGPPARAPPARDZDHHC2
SCHEMBL11767154 0.91 PPARG (0.47) GAAPPARGPPARAPPARDZDHHC2
Ammonia Solution, Strong SCHEMBL28523622 0.91 PPARG (0.47) GAAPPARGPPARAPPARDZDHHC2
SCHEMBL2238586 0.91 PPARA (0.52) PPARGPPARAPPARDTDP1
SCHEMBL15902943 0.89 PPARG (0.46) GAAPPARGPPARAPPARDZDHHC2
SCHEMBL11209349 0.88 GAA (0.40) GAAPPARGPPARAPPARDLTA4H
SCHEMBL11237423 0.85 NPC1 (0.43) PPARGPPARAPPARD
SCHEMBL7698586 0.85 NPC1 (0.43) PPARGPPARAPPARD
SCHEMBL23754112 0.85 PPARG (0.45) PPARGPPARAPPARDKMT2AL3MBTL1
SCHEMBL11763480 0.83 PPARG (0.44) PPARGPPARAPPARDKMT2AL3MBTL1

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
CN-108003004-A A kind of synthetic method of α-deuterated methyl aryl propionic non-steroid antiphlogistic 中国科学技术大学 2018-05-08 CN disclosed