SCHEMBL20166820

SCHEMBL20166820

CCOC(=O)OCCOC(=O)CCCN(Cc1ccccc1)c1cc(C(F)(F)F)ccc1C=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
DHFR P00374 2/20 0.38
LTA4H P09960 7/20 0.38
CETP P11597 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
TMEM97 Q5BJF2 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL20166910 0.89 KDM4E (0.39) ALOX5ALDH1A1KDM4EPPARGPPARD
SCHEMBL20137060 0.87 MGLL (0.41) ALOX5ALDH1A1KDM4EPPARGPPARD
SCHEMBL20137009 0.84 MGLL (0.36) ALOX5ALDH1A1KDM4EPPARGPPARD
SCHEMBL20137037 0.84 KDM4E (0.38) ALDH1A1KDM4EPPARGPPARDPPARA
SCHEMBL20137115 0.83 LTB4R2 (0.44) PPARGDHFRCETP
Hydrochloric Acid SCHEMBL20137043 0.83 KDM4E (0.37) ALDH1A1KDM4EPPARGPPARDPPARA
SCHEMBL20137089 0.82 FFAR4 (0.39) ALDH1A1KDM4EPPARGPPARDPPARA
SCHEMBL29561187 0.82 FFAR4 (0.39) ALDH1A1KDM4EPPARGPPARDPPARA
Hydrochloric Acid SCHEMBL20137048 0.81 FFAR4 (0.39) ALDH1A1KDM4EPPARGPPARDPPARA
Hydrochloric Acid SCHEMBL29560707 0.81 FFAR4 (0.39) ALDH1A1KDM4EPPARGPPARDPPARA

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-3541821-A1 MAGL INHIBITORS Abide Therapeutics, Inc. (US) 2019-09-25 EP disclosed
WO-2018093947-A1 MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-05-24 WO disclosed